SCHEMBL7904723

SCHEMBL7904723

NNC(=S)n1nc(SCc2ccccc2)nc1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM1A O60341 4/20 0.44
METAP2 P50579 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 2/20 0.43
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CXCR2 P25025 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL9668412 0.78 HSP90AA1 (0.50) RAB9ANPC1SMN1; SMN2KDM1AMETAP2
SCHEMBL7904670 0.75 KDM1A (0.39) RAB9ANPC1SMN1; SMN2KDM1AHPGD
SCHEMBL9864721 0.74 RAB9A (0.43) RAB9ANPC1SMN1; SMN2METAP2HSD17B10
SCHEMBL7903987 0.74 KDM1A (0.40) RAB9AKDM1AHSD17B10TSHR
SCHEMBL7896420 0.74 KDM1A (0.40) KDM1A
SCHEMBL10557053 0.72 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2KDM1AMETAP2
SCHEMBL9046223 0.66 NR1H2 (0.47) TSHRMEN1KMT2AALDH1A1
SCHEMBL10559699 0.66 METAP2 (0.52) RAB9ANPC1KDM1AMETAP2HSD17B10
SCHEMBL13752162 0.65 RAB9A (0.70) RAB9ANPC1SMN1; SMN2METAP2HSD17B10
SCHEMBL7840644 0.64 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KDM1AMETAP2

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-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed
EP-0958294-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS GYOGYSZERGYAR (HU) 1999-11-24 EP disclosed
WO-1998030561-A1 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART EGIS Gyógyszergyár Rt. (HU) 1998-07-16 WO disclosed