SCHEMBL7122880

SCHEMBL7122880

CC(C)(C)c1ccc(-c2cccc3c2C=C(c2ccccn2)C3[Hf]C2C(c3ccccn3)=Cc3c(-c4ccc(C(C)(C)C)cc4)cccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
ALDH1A1 P00352 5/20 0.36
RAB9A P51151 4/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
METAP2 P50579 1/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HIF1A Q16665 1/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 3/20 0.32
AKT1 P31749 1/20 0.31
NR2F2 P24468 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL7113211 0.84 CCR1 (0.32) DGAT1
SCHEMBL6900002 0.84 TRPV1 (0.39) TRPV1ABL1BCRALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6903459 0.84 TRPV1 (0.39) TRPV1ABL1BCRALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6904878 0.84 TRPV1 (0.39) TRPV1ABL1BCRALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6902702 0.84 TRPV1 (0.39) TRPV1ABL1BCRALDH1A1RAB9A
SCHEMBL6901745 0.76 NQO2 (0.36) S1PR1
SCHEMBL7121713 0.75 ALDH1A1 (0.36) TRPV1ABL1BCRALDH1A1RAB9A
SCHEMBL6905102 0.75 BRD4 (0.31) S1PR1
SCHEMBL27567462 0.73 BRD4 (0.32)
SCHEMBL31039993 0.73 TRPV1 (0.52) TRPV1ABL1BCRALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed