SCHEMBL11317519

SCHEMBL11317519

O=C(NC(=S)NCCSCc1ccsn1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
ALOX12 P18054 4/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.48
MITF O75030 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL11323918 0.83 ALDH1A1 (0.51) ALDH1A1ALOX12RAB9ASMN1; SMN2LMNA
SCHEMBL11323934 0.81 ALDH1A1 (0.51) ALDH1A1ALOX12RAB9ASMN1; SMN2LMNA
SCHEMBL11322241 0.80 RAB9A (0.56) ALDH1A1ALOX12RAB9ASMN1; SMN2LMNA
SCHEMBL9866666 0.79 ALDH1A1 (0.57) ALDH1A1ALOX12RAB9ASMN1; SMN2LMNA
SCHEMBL10857914 0.79 MAPT (0.36) ALDH1A1ALOX12SMN1; SMN2LMNAHPGD
SCHEMBL11329904 0.79 RAB9A (0.60) ALDH1A1ALOX12RAB9ASMN1; SMN2LMNA
SCHEMBL11310931 0.79 ALDH1A1 (0.58) ALDH1A1ALOX12RAB9ASMN1; SMN2LMNA
SCHEMBL11310490 0.79 RAB9A (0.52) ALDH1A1ALOX12RAB9ASMN1; SMN2LMNA
SCHEMBL10852410 0.79 RAB9A (0.52) ALDH1A1ALOX12RAB9ASMN1; SMN2LMNA
SCHEMBL11107974 0.78 SMN1; SMN2 (0.38) ALDH1A1ALOX12SMN1; SMN2LMNAKDM4E

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