SCHEMBL7904670

SCHEMBL7904670

CCCSc1nc(N)n(C(=S)NN)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALPL P05186 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABCB1 P08183 1/20 0.30

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
SCHEMBL7896392 0.80 POLB (0.33) LMNANPC1RAB9AKDM4E
SCHEMBL7896420 0.78 KDM1A (0.40) KDM1AABCB1
SCHEMBL7903987 0.78 KDM1A (0.40) KDM1ALMNARAB9AABCB1
SCHEMBL7904723 0.75 RAB9A (0.46) KDM1AALDH1A1HPGDNPC1RAB9A
SCHEMBL7904695 0.74 F2 (0.42) KDM1ALMNARAB9AKDM4EMAPT
SCHEMBL7902694 0.61 MAPK1 (0.34) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL11801607 0.60 ALDH1A1 (0.53) ALDH1A1LMNAHPGDALPLKDM4E
SCHEMBL29259761 0.59 ALDH1A1 (0.48) KDM1AALDH1A1LMNAHPGDALPL
SCHEMBL15564280 0.59 ALDH1A1 (0.48) ALDH1A1LMNAHPGDALPLNPC1
SCHEMBL9254390 0.59 POLB (0.34) LMNANPC1RAB9AKDM4E

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 1 patent. 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