SCHEMBL9759807

SCHEMBL9759807

CC(CN1CCCC1)N1c2ccccc2Sc2ccc(C(=O)Nc3ccccc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.47
MAPT P10636 8/20 0.42
TP53 P04637 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
BCHE P06276 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL9759811 1.00 NOX1 (0.47) NOX1MAPTTP53LMNAMEN1
SCHEMBL9760065 0.88 HRH1 (0.47) NOX1MAPTLMNAMEN1KMT2A
SCHEMBL9760059 0.88 HRH1 (0.47) NOX1MAPTLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL9331419 0.87 HRH1 (0.46) NOX1MAPTLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL9331415 0.87 HRH1 (0.46) NOX1MAPTLMNAMEN1KMT2A
SCHEMBL9332031 0.87 MAPT (0.46) MAPTTP53POLBBCHEKDM4E
Hydrochloric Acid SCHEMBL10386924 0.86 MEN1 (0.45) MAPTTP53LMNAMEN1KMT2A
SCHEMBL9504359 0.86 LMNA (0.46) TP53LMNAMEN1KMT2ACNR1
Hydrochloric Acid SCHEMBL9331503 0.86 MAPT (0.45) MAPTTP53POLBBCHEKDM4E
SCHEMBL9331842 0.86 KMT2A (0.45) TP53LMNAMEN1KMT2AALDH1A1

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
US-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed