SCHEMBL23401798

SCHEMBL23401798

CCc1c(-c2ccc(C)cc2)nn(-c2ccccc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
CDK2 P24941 2/20 0.46
CCNA2 P20248 1/20 0.46
LMNA P02545 6/20 0.44
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL23400994 0.94 SMN1; SMN2 (0.44) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23403111 0.93 KMT2A (0.50) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23400820 0.91 KMT2A (0.48) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23403186 0.89 KMT2A (0.54) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23398802 0.88 KMT2A (0.47) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23402053 0.88 ALDH1A1 (0.40) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23398601 0.85 KMT2A (0.44) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23402257 0.85 ALDH1A1 (0.48) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL23403477 0.85 RPA1 (0.48) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL23401519 0.82 CCNA2 (0.50) KMT2AMEN1RAB9ANPC1CDK2

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed