SCHEMBL7364611

SCHEMBL7364611

CCC(=O)Nc1cccc(C(=O)/C=C/N(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
MAPT P10636 8/20 0.67
LMNA P02545 7/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
ATM Q13315 2/20 0.62
RAB9A P51151 5/20 0.61
RECQL P46063 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 3/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 2/20 0.56
MAPK1 P28482 1/20 0.53
POLB P06746 2/20 0.52
NR4A1 P22736 1/20 0.52
SMYD3 Q9H7B4 1/20 0.50

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
SCHEMBL525132 1.00 ALDH1A1 (0.67) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9530980 0.90 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL7402943 0.90 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5818378 0.85 RECQL (0.61) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6070988 0.85 RECQL (0.61) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL523930 0.85 MAPT (0.68) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL523929 0.85 MAPT (0.68) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6070849 0.83 ALDH1A1 (0.57) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5818557 0.83 ALDH1A1 (0.57) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL10735224 0.82 MAPT (0.57) ALDH1A1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208846-B1 [7-(3-Disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID CO (US) 1993-11-18 EP disclosed
EP-0208846-A1 [7-(3-Disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1987-01-21 EP disclosed
US-4626538-A [7-(3-disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1986-12-02 US disclosed
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US disclosed
EP-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP disclosed