SCHEMBL16592580

SCHEMBL16592580

COc1cc(C=Cc2ccccn2)ccc1NC(=O)c1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 11/20 0.67
▸ ALDH1A1 P00352 4/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ USP2 O75604 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PYGL P06737 1/20 0.50

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
SCHEMBL16592579 1.00 GRM4 (0.67) GRM4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL16592631 1.00 GRM4 (0.67) GRM4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL30772487 0.81 GRM4 (1.00) GRM4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL16592449 0.77 GRM4 (0.65) GRM4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL16592445 0.77 GRM4 (0.65) GRM4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL16592470 0.77 GRM4 (0.65) GRM4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL16592447 0.77 GRM4 (0.65) GRM4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL30079805 0.77 GRM4 (0.65) GRM4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL16592667 0.76 ALDH1A1 (0.65) GRM4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL12181962 0.76 MAPT (0.73) GRM4ALDH1A1KMT2AKDM4EMEN1

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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