SCHEMBL21923271

SCHEMBL21923271

Cc1cc2c3c(c1)CCCCCN3CCCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
RAD52 P43351 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTR2C P28335 2/20 0.42
POLB P06746 2/20 0.42
HTR2B P41595 1/20 0.42
HTT P42858 1/20 0.42
ACHE P22303 2/20 0.42
APP P05067 1/20 0.42
BCHE P06276 1/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL1105731 0.91 KMT2A (0.55) KMT2ARAD52RXFP1ALDH1A1MAPT
SCHEMBL2742045 0.88 KMT2A (0.52) KMT2ARAD52RXFP1ALDH1A1MAPT
SCHEMBL12296888 0.82 KMT2A (0.39) KMT2ARAD52RXFP1ALDH1A1MAPT
SCHEMBL18159321 0.76 KMT2A (0.45) KMT2ARAD52RXFP1ALDH1A1MAPT
SCHEMBL28517649 0.76 ALDH1A1 (0.65) KMT2AALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL20780397 0.75 HRH3 (0.41) KMT2AALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL12257038 0.73 KMT2A (0.46) KMT2ARAD52RXFP1ALDH1A1MAPT
SCHEMBL15316122 0.73 ALDH1A1 (0.61) KMT2AALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL11223239 0.73 KMT2A (0.59) KMT2ARAD52RXFP1ALDH1A1MAPT
SCHEMBL19992492 0.73 MAPT (0.46) KMT2AALDH1A1MAPTSMN1; SMN2NPSR1

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-2020085499-A1 FILM-LIKE SUBSTANCE FOR OPTICAL MEMBER AND COMPOSITION FOR OPTICAL MEMBER 三菱ケミカル株式会社 2020-04-30 WO disclosed