SCHEMBL27328541

SCHEMBL27328541

Oc1ccc(-c2nc(-c3ccccc3)cnc2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
BCHE P06276 1/20 0.59
NTSR1 P30989 1/20 0.53
MAPT P10636 3/20 0.53
ADORA2A P29274 3/20 0.53
ADORA1 P30542 2/20 0.53
MMP3 P08254 1/20 0.48
BCL2L1 Q07817 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
PRKDC P78527 1/20 0.46
ATM Q13315 1/20 0.46
ATR Q13535 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL16750246 0.89 CKS1B (0.52) KMT2AMEN1BCHEMAPTADORA2A
SCHEMBL87574 0.89 CKS1B (0.55) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL29406280 0.87 CKS1B (0.53) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL27816089 0.87 CKS1B (0.53) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL28243355 0.87 CKS1B (0.53) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL6701889 0.85 ADORA1 (0.56) KMT2AMEN1BCHENTSR1ADORA2A
SCHEMBL934795 0.85 ADORA1 (0.56) KMT2AMEN1BCHENTSR1ADORA2A
SCHEMBL19820819 0.82 CKS1B (0.57) KMT2AMEN1MAPTADORA2AADORA1
SCHEMBL2911515 0.82 TDP1 (0.59) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL2907266 0.82 TDP1 (0.59) KMT2AMEN1MAPTALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed