SCHEMBL9475462

SCHEMBL9475462

O=C(c1ccc(Br)cc1)c1cccc2c(C(=O)c3ccc(Br)cc3)cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.63
KMT2A Q03164 3/20 0.63
HPGD P15428 2/20 0.63
LMNA P02545 4/20 0.53
ABCB11 O95342 1/20 0.53
PTGS1 P23219 1/20 0.53
ADORA1 P30542 1/20 0.53
PTGS2 P35354 1/20 0.53
MAPT P10636 5/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.50
PRNP P04156 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
AHR P35869 1/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL22146816 0.89 AKR1C3 (0.61) AKR1C3KMT2AHPGDLMNAABCB11
SCHEMBL3843558 0.83 AKR1C3 (0.81) AKR1C3KMT2AHPGDLMNAABCB11
SCHEMBL3956232 0.83 AKR1C3 (0.81) AKR1C3KMT2AHPGDLMNAABCB11
SCHEMBL717723 0.80 AKR1C3 (0.64) AKR1C3MAPTPRNPPOLBNPSR1
SCHEMBL9407149 0.79 LTA4H (0.48) AKR1C3KMT2AHPGDLMNAMAPT
SCHEMBL9474984 0.79 NR4A1 (0.63) KMT2APTGS2MAPTMAPK1NPC1
SCHEMBL3677894 0.79 AKR1C3 (0.69) AKR1C3KMT2AHPGDLMNAABCB11
SCHEMBL124290 0.78 PRNP (0.57) AKR1C3KMT2AHPGDLMNAMAPT
SCHEMBL28685435 0.78 AKR1C3 (0.49) AKR1C3KMT2AHPGDLMNAABCB11
SCHEMBL1828088 0.78 AKR1C3 (1.00) AKR1C3KMT2ALMNAABCB11PTGS1

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-5191056-A Molding materials TEIJIN LIMITED (JP) 1993-03-02 US disclosed