SCHEMBL7443481

SCHEMBL7443481

Cn1c(CO)cc2cc(C#N)ccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.45
▸ ENPP3 O14638 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ BRPF1 P55201 5/20 0.38
▸ BRD1 O95696 3/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ BRD9 Q9H8M2 2/20 0.36
▸ BRPF3 Q9ULD4 2/20 0.36
▸ BRD7 Q9NPI1 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL10066950 0.85 CYP2A6 (0.44) RORCENPP3CDC7BRPF1BRD1
SCHEMBL7491020 0.81 BRPF1 (0.42) RORCBRPF1BRD1BRPF3NTRK1
SCHEMBL1313567 0.78 TSHR (0.46) RORCENPP3CDC7BRPF1
SCHEMBL25292537 0.76 MAPT (0.49) MAOA
SCHEMBL10053515 0.76 BRPF1 (0.45) ENPP3CDC7BRPF1BRD1BRD4
SCHEMBL2433002 0.75 NTRK1 (0.42) NTRK1CNR1
Bromide SCHEMBL7489164 0.75 ENPP3 (0.39) RORCENPP3CDC7BRPF1ALB
SCHEMBL6606799 0.75 BRPF1 (0.51) BRPF1MAOA
SCHEMBL18112916 0.75 RXFP1 (0.47) MAOA
SCHEMBL14757769 0.75 MAOA (0.38) MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1079396-C Aromatic amidine derivatives useful as selective thrombin inhibitors C & C RES LAB (KR) 2002-02-20 — — CN disclosed
EP-0918768-B1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RES LAB (KR) 2002-01-09 — — EP disclosed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 — — US disclosed
CN-1219932-A Aromatic amidine derivatives useful as selective thrombin inhibitors C & C RESEARCH LAB (KR) 1999-06-16 — — CN disclosed
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 — — EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 — — WO disclosed
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