SCHEMBL11323729

SCHEMBL11323729

CNC(=S)NCCSCc1ccc(Cl)nn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
LMNA P02545 9/20 0.40
ALOX12 P18054 7/20 0.40
ALDH1A1 P00352 5/20 0.40
HTT P42858 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 1/20 0.40
RECQL P46063 1/20 0.40
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
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
SCHEMBL11325653 0.85 SMN1; SMN2 (0.38) MAPTLMNAALOX12ALDH1A1HTT
SCHEMBL11312930 0.84 SMN1; SMN2 (0.37) MAPTLMNAALOX12ALDH1A1HTT
SCHEMBL11364489 0.79 CYP3A4 (0.36) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL11311421 0.78 SMN1; SMN2 (0.40) MAPTLMNAALOX12ALDH1A1HTT
SCHEMBL11317784 0.78 ALDH1A1 (0.37) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL11328847 0.77 MAPT (0.39) MAPTLMNAALOX12ALDH1A1HTT
SCHEMBL11819562 0.75 MAPT (0.40) MAPTLMNAALOX12ALDH1A1HTT
SCHEMBL11314653 0.75 ACHE (0.43) MAPTLMNAALOX12ALDH1A1HTT
SCHEMBL11310657 0.74 MAPT (0.38) MAPTLMNAALOX12ALDH1A1HTT
SCHEMBL11107974 0.74 SMN1; SMN2 (0.38) MAPTLMNAALOX12ALDH1A1HTT

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