SCHEMBL31364692

SCHEMBL31364692

Clc1cccc2ccc3c4ccccc4[nH]c3c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.61
GABRP O00591 2/20 0.54
GABRD O14764 2/20 0.54
GABRA1 P14867 2/20 0.54
GABRB1 P18505 2/20 0.54
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
GABRA5 P31644 2/20 0.54
GABRA3 P34903 2/20 0.54
GABRA2 P47869 2/20 0.54
GABRB2 P47870 2/20 0.54
GABRA4 P48169 2/20 0.54
GABRE P78334 2/20 0.54
GABRA6 Q16445 2/20 0.54
GABRG1 Q8N1C3 2/20 0.54
GABRG3 Q99928 2/20 0.54
GABRQ Q9UN88 2/20 0.54
DYRK1A Q13627 2/20 0.47
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46

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
SCHEMBL31364691 1.00 KIF11 (0.61) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL29170879 0.86 KIF11 (0.53) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL31126658 0.84 KIF11 (0.70) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL15055559 0.84 KIF11 (0.70) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL28133801 0.82 KIF11 (0.75) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL29199247 0.82 KIF11 (0.48) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL23487213 0.81 GABRP (0.49) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL31474798 0.80 KIF11 (0.60) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL11152062 0.80 KIF11 (0.61) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL22839599 0.80 KIF11 (0.61) KIF11GABRPGABRDGABRA1GABRB1

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
WO-2025021855-A1 MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES AND ORGANIC SENSORS MERCK PATENT GMBH (DE) 2025-01-30 WO disclosed