SCHEMBL16592445

SCHEMBL16592445

COc1cc(/N=N\c2ccccn2)ccc1NC(=O)c1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 11/20 0.65
▸ ALDH1A1 P00352 4/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ USP2 O75604 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ PYGL P06737 1/20 0.48

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
SCHEMBL16592449 1.00 GRM4 (0.65) GRM4ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL16592470 1.00 GRM4 (0.65) GRM4ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL30079805 1.00 GRM4 (0.65) GRM4ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL16592447 1.00 GRM4 (0.65) GRM4ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL16592417 0.91 GRM4 (0.54) GRM4ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL16592418 0.91 GRM4 (0.54) GRM4ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL16592439 0.91 GRM4 (0.54) GRM4ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL16592559 0.91 GRM4 (0.54) GRM4ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL16592419 0.88 GRM4 (0.56) GRM4KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL16592420 0.88 GRM4 (0.56) GRM4KMT2AKDM4ESMN1; SMN2MAPT

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-2853565-A1 Glutamate receptor photomodulators Consejo Superior De Investigaciones Científicas (ES) 2015-04-01 — — EP disclosed
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