SCHEMBL8320784

SCHEMBL8320784

COc1ccccc1CN1N=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.47
HTR7 P34969 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
AVPR2 P30518 2/20 0.40
AVPR1A P37288 2/20 0.40
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
OXTR P30559 1/20 0.37
CCKBR P32239 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 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
SCHEMBL8318916 0.90 BRD4 (0.45) BRD4BRD2BRD3LMNAHDAC1
SCHEMBL8801054 0.89 BRD4 (0.46) BRD4HTR7SMN1; SMN2HPGDBRD2
SCHEMBL8320130 0.88 BRD4 (0.51) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8316964 0.88 BRD4 (0.51) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8318557 0.86 BRD4 (0.44) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8319427 0.86 ALDH1A1 (0.53) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8321839 0.86 BRD4 (0.49) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8319429 0.86 BRD4 (0.46) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8318844 0.86 BRD4 (0.46) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8318701 0.85 BRD4 (0.48) BRD4SMN1; SMN2HPGDBRD2BRD3

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
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP claimed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US claimed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP claimed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP disclosed