SCHEMBL11458265

SCHEMBL11458265

O=c1[nH]c(=S)[nH]cc1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.53
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TYMP P19971 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
RNASEH1 O60930 1/20 0.40

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
SCHEMBL4423230 0.83 DAO (0.51) LMNAMEN1KMT2ARXFP1
SCHEMBL11448290 0.81 PNP (0.54) PNP
SCHEMBL9107149 0.78 PLA2G7 (0.41) KMT2A
SCHEMBL9105430 0.77 KMT2A (0.42) KMT2A
SCHEMBL11450005 0.77 KMT2A (0.49) ALDH1A1KMT2A
SCHEMBL4418633 0.76 ALDH1A1 (0.53) PNPALDH1A1HPGDMEN1KMT2A
SCHEMBL11448749 0.76 CA2 (0.50) ALDH1A1KMT2A
SCHEMBL11449181 0.76 PNP (0.51) PNPLMNAMEN1KMT2ARXFP1
SCHEMBL11458528 0.75 DAO (0.47) KMT2A
SCHEMBL7010634 0.74 PNP (0.51) PNPALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4218452-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-08-19 US disclosed
US-4159329-A BLOCKING AGENTS, ANTAGONISTS, ANTIHISTAMINES SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1979-06-26 US disclosed
US-4145546-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-03-20 US disclosed