SCHEMBL6902574

SCHEMBL6902574

Cc1ccc(-c2cccc3c2C=C([Zr]C2=Cc4c(-c5ccc(C)cc5)cccc4C2c2ccccn2)C3c2ccccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 4/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGFBR1 P36897 1/20 0.33
MEN1 O00255 3/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 2/20 0.32
CASP1 P29466 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
COMT P21964 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL6897781 0.90 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL6904106 0.88 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL6897517 0.87 TGFBR1 (0.36) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL6900259 0.87 NPC1 (0.36) SYKALDH1A1KMT2AMAPTNPC1
SCHEMBL6899133 0.87 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL6902715 0.85 GPR88 (0.38) SYKALDH1A1KMT2AMAPTNPC1
SCHEMBL6904488 0.83 KMT2A (0.34) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL6901173 0.83 BRS3 (0.36) ALDH1A1KMT2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL6899139 0.83 SYK (0.40) SYKALDH1A1KMT2AMAPTNPC1
SCHEMBL6903050 0.82 HTR2A (0.38) ALDH1A1KMT2AMAPTNPC1RAB9A

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