SCHEMBL7412457

SCHEMBL7412457

CC(=O)Nc1ccc2c(c1)c1c(n2CCN2CCN(C)CC2)CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 2/20 0.40
SIRT6 Q8N6T7 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
MCHR1 Q99705 1/20 0.37
AR P10275 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 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
SCHEMBL7413051 0.79 DRD2 (0.46) ALDH1A1MCHR1DRD2DRD3
SCHEMBL7405351 0.72 PTGDR2 (0.43) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2204301 0.65 MEN1 (0.75) KMT2AMEN1ALDH1A1SIRT6MAPT
SCHEMBL4191910 0.65 SIRT6 (0.72) KMT2AMEN1ALDH1A1SIRT6MAPT
SCHEMBL10126930 0.63 WDR5 (0.61) KMT2AALDH1A1
SCHEMBL4221243 0.63 KMT2A (0.67) KMT2AMEN1ALDH1A1SIRT6MAPT
SCHEMBL27178667 0.63 KMT2A (0.60) KMT2AMEN1SIRT6MAPT
SCHEMBL12431530 0.63 MAPT (0.70) KMT2AALDH1A1SIRT6MAPTLMNA
SCHEMBL13912 0.63 KMT2A (0.75) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL447471 0.63 SIRT6 (1.00) KMT2AMEN1ALDH1A1SIRT6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed