SCHEMBL7709015

SCHEMBL7709015

CSCC[C@H](NC(=O)c1cccc(C=C(Cn2ccnc2)c2ccc(F)cc2)c1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
CYP19A1 P11511 2/20 0.40
AGTR2 P50052 2/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP51A1 Q16850 4/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CYP26A1 O43174 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL7709010 1.00 RAB9A (0.40) RAB9ACYP19A1AGTR2FNTAFNTB
SCHEMBL7703271 0.93 FNTA (0.46) RAB9AAGTR2FNTAFNTBCYP3A4
SCHEMBL8206537 0.93 FNTA (0.46) RAB9AAGTR2FNTAFNTBCYP3A4
SCHEMBL7703276 0.93 FNTA (0.46) RAB9AAGTR2FNTAFNTBCYP3A4
SCHEMBL7706109 0.93 FNTA (0.46) RAB9AAGTR2FNTAFNTBCYP3A4
SCHEMBL7706112 0.93 FNTA (0.46) RAB9AAGTR2FNTAFNTBCYP3A4
SCHEMBL8227708 0.88 CYP19A1 (0.41) RAB9ACYP19A1FNTAFNTBCYP51A1
SCHEMBL7709325 0.88 RAB9A (0.43) RAB9ACYP19A1AGTR2FNTAFNTB
SCHEMBL7709327 0.88 RAB9A (0.43) RAB9ACYP19A1AGTR2FNTAFNTB
SCHEMBL7709321 0.86 FNTA (0.44) CYP19A1FNTAFNTBCYP51A1

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
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US claimed
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP claimed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO claimed
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed