SCHEMBL20267337

SCHEMBL20267337

O=C1c2ccccc2C(=O)N1N1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 1/20 0.43
CDK4 P11802 1/20 0.43
ALOX15 P16050 1/20 0.43
CCND1 P24385 1/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
NOTUM Q6P988 1/20 0.42

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
SCHEMBL29466252 0.85 CES1 (0.47) ALDH1A1NPC1RAB9ATSHRKMT2A
SCHEMBL28068349 0.81 KMT2A (0.51) ALDH1A1RAB9AKDM4ECYP3A4CYP2C9
SCHEMBL10100516 0.80 SMN1; SMN2 (0.45) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL28230697 0.80 KMT2A (0.38) ALDH1A1NPC1RAB9ATSHRKDM4E
SCHEMBL30530510 0.79 MEN1 (0.44) ALDH1A1TSHRCYP2C9CYP2C19KMT2A
SCHEMBL15775030 0.77 HPGD (0.46) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL11606022 0.77 POLB (0.47) ALDH1A1NPC1RAB9ATSHRKMT2A
SCHEMBL28231670 0.77 MEN1 (0.55) ALDH1A1NPC1RAB9AKDM4ECYP3A4
SCHEMBL15224120 0.75 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ATSHRKDM4E
SCHEMBL31458134 0.71 CRBN (0.47) ALDH1A1TSHRKMT2AALOX15POLB

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-2018108627-A1 USE OF SUBSTITUTED INDOLINYLMETHYL SULFONAMIDES, OR THE SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-21 WO disclosed