SCHEMBL25946337

SCHEMBL25946337

CSCc1ccnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
NCF1 P14598 1/20 0.47
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FERMT2 Q96AC1 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2C P28335 1/20 0.38

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
SCHEMBL12854039 0.81 LOXL2 (0.55) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL805503 0.78 LOXL2 (0.64) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL10872972 0.77 LOXL2 (0.53) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL334360 0.75 LOXL2 (0.67) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL31599195 0.75 LOXL2 (0.67) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL11069998 0.75 ERN1 (0.39) LOXL2CYP1A2CYP2D6HIF1AKDM4E
Bromide SCHEMBL10672971 0.74 LOXL2 (0.60) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL528996 0.74 LOXL2 (0.60) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL20685685 0.74 HTT (0.59) LOXL2NCF1CYP1A2CYP3A4CYP2D6
SCHEMBL6112363 0.74 LOXL2 (0.64) LOXL2NCF1HTR1AADRA1DADRA1A

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-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed