SCHEMBL8334672

SCHEMBL8334672

Cc1cc2c(Cl)nc(-c3ccc(C(=O)O)cc3)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.41
RARB P10826 6/20 0.41
RARG P13631 6/20 0.41
PPARG P37231 1/20 0.41
RORC P51449 1/20 0.41
FLT3 P36888 1/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 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
SCHEMBL8338912 0.86 RXRA (0.41) RARARARBRARGRAB9AKDM4E
SCHEMBL8179509 0.86 MAPT (0.46) FLT3RAB9AKDM4EPOLBGAA
SCHEMBL31045057 0.84 FLT3 (0.41) FLT3RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL20668057 0.84 LMNA (0.50) FLT3RAB9AKDM4EPOLBHTT
SCHEMBL8338691 0.83 SELE (0.45) KDM4EMEN1ALDH1A1KMT2ARXRA
SCHEMBL31044906 0.82 FLT3 (0.53) FLT3RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL8340672 0.81 BRD4 (0.46) RARARARBRARGPPARGRAB9A
SCHEMBL8335829 0.81 RXRA (0.40) RARARARBRARGRORCRAB9A
SCHEMBL8336344 0.80 MEN1 (0.39) RARARARBRARGRAB9AKDM4E
SCHEMBL31044805 0.80 KDM4E (0.40) FLT3RAB9AKDM4EPOLBGAA

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-5948911-A Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed