SCHEMBL11312930

SCHEMBL11312930

CNC(=S)NCCSCc1ccc(N)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 10/20 0.35
LMNA P02545 10/20 0.35
ALOX12 P18054 8/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 5/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ACHE P22303 2/20 0.32
GAA P10253 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
SCHEMBL11325653 0.85 SMN1; SMN2 (0.38) SMN1; SMN2MAPTLMNAALOX12ALDH1A1
SCHEMBL11323729 0.84 MAPT (0.40) SMN1; SMN2MAPTLMNAALOX12ALDH1A1
SCHEMBL11311421 0.78 SMN1; SMN2 (0.40) SMN1; SMN2MAPTLMNAALOX12ALDH1A1
SCHEMBL11314821 0.78 LMNA (0.35) LMNAHTTKDM4EHRH2HRH3
SCHEMBL11363950 0.78 CYP3A4 (0.38) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL11311448 0.76 SMN1; SMN2 (0.36) SMN1; SMN2MAPTLMNAALOX12ALDH1A1
SCHEMBL11819562 0.75 MAPT (0.40) SMN1; SMN2MAPTLMNAALOX12ALDH1A1
SCHEMBL11326412 0.75 ACHE (0.43) SMN1; SMN2MAPTLMNAALOX12ALDH1A1
SCHEMBL11310929 0.75 SMN1; SMN2 (0.36) SMN1; SMN2MAPTLMNAALOX12ALDH1A1
SCHEMBL11310657 0.74 MAPT (0.38) SMN1; SMN2MAPTLMNAALOX12ALDH1A1

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 8 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-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed