SCHEMBL6688905

SCHEMBL6688905

O=C(CI)Nc1cccc(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
POLB P06746 2/20 0.50
NR4A1 P22736 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
EGFR P00533 2/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
HIF1A Q16665 2/20 0.44
EPAS1 Q99814 2/20 0.44
GRIK1 P39086 1/20 0.44

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
SCHEMBL27822854 0.84 EGFR (0.61) TRPV1POLBRAB9AMEN1KMT2A
SCHEMBL15094368 0.84 TRPV1 (0.50) TRPV1POLBNR4A1RAB9AMEN1
SCHEMBL15706908 0.81 RAB9A (0.74) POLBNR4A1RAB9AMEN1KMT2A
SCHEMBL30487751 0.81 ALDH1A1 (0.63) POLBNR4A1RAB9AMEN1KMT2A
SCHEMBL3709896 0.81 ALDH1A1 (0.63) POLBNR4A1RAB9AMEN1KMT2A
SCHEMBL8912750 0.81 F2R (0.60) TRPV1MAPT
SCHEMBL29466759 0.80 GRIK1 (0.60) POLBRAB9AMEN1KMT2AGRIN2D
SCHEMBL6933423 0.80 HSD17B10 (0.68) POLBRAB9AMEN1KMT2A
SCHEMBL24137508 0.80 ERCC1 (0.63) TRPV1RAB9AMEN1KMT2AGAA
SCHEMBL7121542 0.80 TRPV1 (0.47) TRPV1POLBNR4A1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed