SCHEMBL7477565

SCHEMBL7477565

NC(=O)Cc1ccc2ccccc2c1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
NCEH1 Q6PIU2 4/20 0.42
MTNR1A P48039 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PRNP P04156 1/20 0.39
MAPK1 P28482 1/20 0.39

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 0.84 TDP1 (0.62) POLBTDP1RAB9ASMN1; SMN2MAPT
SCHEMBL8474945 0.83 POLB (0.47) POLBTDP1RAB9ASMN1; SMN2MAPT
SCHEMBL10393003 0.80 POLB (0.44) POLBRAB9ASMN1; SMN2MAPTNPC1
SCHEMBL27480626 0.79 TSHR (0.46) TDP1RAB9ANCEH1MTNR1AHPGD
SCHEMBL18049834 0.79 SMN1; SMN2 (0.49) POLBTDP1RAB9ASMN1; SMN2MAPT
SCHEMBL66670 0.78 TDP1 (0.69) TDP1MAPTMTNR1AHPGDHTT
SCHEMBL596646 0.77 POLB (0.57) POLBTDP1RAB9ASMN1; SMN2MAPT
SCHEMBL7399435 0.77 POLB (0.48) POLBTDP1RAB9ASMN1; SMN2MAPT
SCHEMBL628771 0.77 ERN1 (0.53) TDP1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL28754118 0.77 TDP1 (0.67) TDP1MAPTMTNR1AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed