SCHEMBL9054532

SCHEMBL9054532

Cn1cc(CCCNc2cccnc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
HTR2A P28223 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
TP53 P04637 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HTR6 P50406 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL9056570 0.93 HTR2C (0.51) HTR2CHTR2AMEN1KMT2AGPR84
Fumaric Acid SCHEMBL8415339 0.91 MEN1 (0.48) HTR2CMEN1KMT2AKDM4EHPGD
Maleic Acid SCHEMBL8415335 0.91 MEN1 (0.48) HTR2CMEN1KMT2AKDM4EHPGD
SCHEMBL8418207 0.86 HTR2A (0.51) HTR2AMEN1KMT2AGPR84KDM4E
SCHEMBL8415599 0.79 HTR2C (0.65) HTR2CMEN1KMT2ARXFP1HTR6
SCHEMBL8804198 0.78 NOTUM (0.62) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL7004405 0.75 HTR2A (0.73) HTR2AMEN1KMT2AGPR84KDM4E
SCHEMBL8804773 0.75 PTPN5 (0.64) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL9055209 0.74 HTR2C (0.79) HTR2CKMT2ALMNAHTR6ALDH1A1
SCHEMBL8415790 0.71 HTR2C (0.67) HTR2CMEN1KMT2ARXFP1HTR6

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-1996004266-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-02-15 WO disclosed