SCHEMBL11310657

SCHEMBL11310657

CNC(=S)NCCSCc1cc(CSCCNC(=S)NC)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.38
LMNA P02545 9/20 0.38
ALOX12 P18054 8/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HTT P42858 5/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL11315624 0.92 MAPT (0.38) MAPTLMNAALOX12ALDH1A1HPGD
SCHEMBL11314389 0.78 MAPT (0.36) MAPTLMNAALOX12ALDH1A1HPGD
SCHEMBL11310363 0.78 HRH2 (0.37) MAPTLMNAALOX12ALDH1A1HPGD
SCHEMBL11110578 0.78 ALDH1A1 (0.48) MAPTLMNAALOX12ALDH1A1SMN1; SMN2
SCHEMBL11317503 0.78 MAPT (0.36) MAPTLMNAALOX12ALDH1A1HPGD
SCHEMBL11321099 0.78 SMN1; SMN2 (0.38) MAPTLMNAALOX12ALDH1A1HPGD
SCHEMBL11320924 0.78 HRH2 (0.37) MAPTLMNAALOX12ALDH1A1HPGD
SCHEMBL11312588 0.78 SMN1; SMN2 (0.39) MAPTLMNAALOX12ALDH1A1HPGD
SCHEMBL11315041 0.77 ALDH1A1 (0.39) MAPTLMNAALOX12ALDH1A1HPGD
SCHEMBL11310392 0.77 MAPT (0.35) MAPTLMNAALOX12ALDH1A1HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4307101-A ANTIHISTAMINES AND ANTISECRETORY AGENTS OF THE THIOUREA OR UREA DERIVATIVES 5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-22 US disclosed
US-4293697-A ANTIHISTAMINES SMITH, KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-4230865-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-28 US disclosed
US-4226874-A ANTIHISTAMINES, ANTISECRETORY AGENTS, GASTRIC JUICE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 US disclosed
US-4151288-A ANTHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed