SCHEMBL11311331

SCHEMBL11311331

O=C(NC(=S)NCCCNc1cc[nH]n1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 10/20 0.52
ALOX12 P18054 5/20 0.52
RAB9A P51151 2/20 0.49
MITF O75030 1/20 0.48
ACHE P22303 2/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL15328268 0.82 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1ALOX12RAB9AMITF
SCHEMBL11314926 0.81 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1ALOX12RAB9AMITF
SCHEMBL11703253 0.81 RAB9A (0.64) SMN1; SMN2ALDH1A1ALOX12RAB9AMITF
SCHEMBL11312703 0.80 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1ALOX12RAB9AMITF
SCHEMBL2394596 0.79 NPC1 (0.61) ALDH1A1ALOX12RAB9AKDM4ENPC1
SCHEMBL11312033 0.79 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1ALOX12RAB9AMITF
SCHEMBL15328351 0.78 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1ALOX12RAB9AMITF
SCHEMBL11313298 0.78 RAB9A (0.63) SMN1; SMN2ALDH1A1ALOX12RAB9AMITF
SCHEMBL11318847 0.77 HRH2 (0.42) ALDH1A1KDM4ELMNAMAPT
SCHEMBL15328470 0.76 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1ALOX12RAB9AMITF

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