SCHEMBL7399435

SCHEMBL7399435

C=C(O)Cc1ccc2ccccc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
TDP1 Q9NUW8 2/20 0.41
NCEH1 Q6PIU2 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PRNP P04156 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL7468694 0.82 TDP1 (0.62) POLBTDP1NCEH1ALDH1A1HSD17B10
SCHEMBL596646 0.79 POLB (0.57) POLBTDP1NCEH1ALDH1A1HSD17B10
SCHEMBL8474945 0.77 POLB (0.47) POLBTDP1NCEH1ALDH1A1HSD17B10
SCHEMBL7477565 0.77 POLB (0.47) POLBTDP1NCEH1ALDH1A1HSD17B10
SCHEMBL28358062 0.77 TDP1 (0.66) TDP1HPGDSMN1; SMN2KDM4E
SCHEMBL14176963 0.77 POLB (0.50) POLBTDP1NCEH1ALDH1A1HSD17B10
SCHEMBL18049834 0.77 SMN1; SMN2 (0.49) POLBTDP1NCEH1ALDH1A1HPGD
SCHEMBL4698955 0.75 POLB (0.52) POLBTDP1NCEH1ALDH1A1HSD17B10
SCHEMBL30274454 0.75 POLB (0.52) POLBTDP1NCEH1ALDH1A1HSD17B10
SCHEMBL10393003 0.75 POLB (0.44) POLBALDH1A1HPGDSMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed
WO-2000037433-A1 INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-06-29 WO disclosed