SCHEMBL14140355

SCHEMBL14140355

O=C(O)c1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.60
BAD Q92934 1/20 0.60
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
HAO1 Q9UJM8 1/20 0.57
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
RXRA P19793 3/20 0.54
RXRB P28702 3/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
SRD5A2 P31213 1/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL2348487 1.00 BCL2L1 (0.60) BCL2L1BADTP53TSHRHAO1
SCHEMBL71380 0.92 TSHR (0.71) TP53TSHRCES2CES1RXRA
SCHEMBL6547995 0.90 TSHR (0.67) TP53TSHRCES2CES1RXRA
Hydrochloric Acid SCHEMBL532752 0.90 TSHR (0.67) TP53TSHRCES2CES1RXRA
SCHEMBL9317004 0.90 TSHR (0.67) TP53TSHRCES2CES1RXRA
SCHEMBL8767088 0.90 TSHR (0.67) TP53TSHRCES2CES1RXRA
SCHEMBL8487555 0.90 TSHR (0.67) TP53TSHRCES2CES1RXRA
SCHEMBL9318309 0.90 TSHR (0.67) TP53TSHRCES2CES1RXRA
SCHEMBL10604961 0.90 TSHR (0.67) TP53TSHRCES2CES1RXRA
SCHEMBL10614159 0.90 TSHR (0.67) TP53TSHRCES2CES1RXRA

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-7393598-B2 Light emitting molecules and organic light emitting devices including light emitting molecules HCF PARTNERS, L.P. (US) 2008-07-01 US disclosed