SCHEMBL23402133

SCHEMBL23402133

CCc1c(O)c(-c2ccc(C)cc2)nn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 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
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
STAT1 P42224 1/20 0.43
LMNA P02545 6/20 0.41
TSHR P16473 1/20 0.41
NR4A3 Q92570 1/20 0.40
CCNE1 P24864 1/20 0.40
HTT P42858 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL23402489 0.94 MEN1 (0.43) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23402827 0.93 KMT2A (0.43) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23398985 0.91 MEN1 (0.48) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23399517 0.89 KMT2A (0.45) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23401612 0.88 ALDH1A1 (0.40) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23400248 0.87 KMT2A (0.43) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23401099 0.85 KMT2A (0.44) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23403249 0.85 RPA1 (0.48) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL23400599 0.83 KMT2A (0.45) KMT2AMEN1RAB9ANPC1CDK2
SCHEMBL23398892 0.82 MEN1 (0.55) 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