SCHEMBL10999537

SCHEMBL10999537

S=C(NCCSCc1ccon1)NCCSCc1ccon1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.38
LMNA P02545 11/20 0.38
ALOX12 P18054 9/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
HTT P42858 6/20 0.38
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
RECQL P46063 1/20 0.38
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10862915 0.96 MAPT (0.36) MAPTLMNAALOX12SMN1; SMN2HTT
SCHEMBL11315608 0.93 SMN1; SMN2 (0.37) MAPTLMNAALOX12SMN1; SMN2HTT
SCHEMBL11329050 0.93 MAPT (0.37) MAPTLMNAALOX12SMN1; SMN2HTT
SCHEMBL11102412 0.91 SMN1; SMN2 (0.38) MAPTLMNAALOX12SMN1; SMN2HTT
SCHEMBL11085100 0.91 LMNA (0.38) MAPTLMNAALOX12SMN1; SMN2HTT
SCHEMBL11321273 0.89 LMNA (0.39) MAPTLMNAALOX12SMN1; SMN2HTT
SCHEMBL11319088 0.88 IDO1 (0.33) MAPTLMNAALOX12SMN1; SMN2HTT
SCHEMBL11001538 0.84 ALDH1A1 (0.35) MAPTLMNAALOX12SMN1; SMN2HTT
SCHEMBL11323918 0.84 ALDH1A1 (0.51) MAPTLMNAALOX12SMN1; SMN2ALDH1A1
SCHEMBL11323741 0.83 LMNA (0.36) MAPTLMNAALOX12SMN1; SMN2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499101-A HISTAMINE H2-ANTAGONISTS; ANTISECRETORY ANTIINFLAMMOATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-02-12 US disclosed
US-4388319-A ANTIHISTAMINES, ANTISECRETORY, ANTIINFLAMMATORY, HYPOTENSIVE AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-06-14 US disclosed
US-4282234-A HISTAMINE BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-08-04 US disclosed
US-4271169-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-06-02 US disclosed
US-4215125-A H-2 HISTAMINE RECEPTOR INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-29 US disclosed
US-4191769-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-03-04 US disclosed
US-4170652-A USED TO BLOCK HISTAMINE H2 RECEPTORS ANTISECRETORY, ANTIINFLAMMATORY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-09 US disclosed
US-4152443-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-01 US disclosed
US-4118496-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-10-03 US disclosed
US-4112104-A UREA, THIOUREA OR GUANIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-09-05 US disclosed
US-4109003-A N-(IMIDAZOLYL-METHYLTHIO-ALKYL) DERIVATIVES OF S-ALKYL ISOTHIOUREAS; ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-22 US disclosed
US-4107319-A GUANIDINES, BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-15 US disclosed
US-4025527-A H-2 HISTAMINE RECEPTOR INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-24 US disclosed