SCHEMBL13680661

SCHEMBL13680661

Cc1cccc(-c2ccc(=O)n(C)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.64
▸ SOS1 Q07889 2/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ CREBBP Q92793 2/20 0.42
▸ PGR P06401 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ BMPR1B O00238 1/20 0.42
▸ BMPR1A P36894 1/20 0.42
▸ ACVRL1 P37023 1/20 0.42
▸ ACVR1 Q04771 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ PARP11 Q9NR21 1/20 0.41
▸ PTPN5 P54829 1/20 0.41

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
SCHEMBL18483006 0.83 BRD4 (0.51) BRD4CREBBPBMPR1BBMPR1AACVRL1
SCHEMBL19280560 0.81 BRD4 (0.62) BRD4HRH3CREBBPPGRALDH1A1
SCHEMBL16573986 0.79 BRD4 (0.50) BRD4HRH3CREBBPBMPR1BBMPR1A
SCHEMBL9919107 0.79 BRD4 (0.59) BRD4CREBBPALDH1A1
SCHEMBL18656033 0.76 PIK3CD (0.43) FYNCLK4DYRK1BPGRALDH1A1
SCHEMBL20506937 0.76 BRD4 (0.58) BRD4
SCHEMBL18518471 0.75 ALDH1A1 (0.50) BRD4CREBBPALDH1A1BMPR1BBMPR1A
SCHEMBL13680660 0.75 GRIN2B (0.43) —
SCHEMBL19931110 0.74 BRD4 (0.64) BRD4SOS1HRH3CREBBPBMPR1B
SCHEMBL18471235 0.74 BRD4 (0.50) BRD4CREBBPBMPR1BBMPR1AACVRL1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed
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