SCHEMBL11348651

SCHEMBL11348651

CCNc1nc(Cl)nc(N(C)C#N)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
HTT P42858 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.46
GAA P10253 2/20 0.46
PDE4A P27815 1/20 0.46
CREBBP Q92793 2/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 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
SCHEMBL10577183 0.80 ALDH1A1 (0.67) LMNAHTTNPSR1ALDH1A1KMT2A
SCHEMBL7115688 0.80 GAA (0.52) LMNAHTTCYP1A2CYP2C19NPSR1
SCHEMBL3673972 0.79 LMNA (0.50) LMNAHTTCYP1A2CYP2C19CYP3A4
SCHEMBL29355285 0.76 LMNA (0.64) LMNACYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL65969 0.76 LMNA (0.64) LMNACYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL8537334 0.76 LMNA (0.64) LMNACYP1A2CYP2C19ALDH1A1KMT2A
Simazine SCHEMBL8409822 0.74 LMNA (1.00) LMNACYP1A2CYP2C19KMT2AL3MBTL1
SCHEMBL4831154 0.74 LMNA (0.90) LMNACYP1A2CYP2C19ALDH1A1KMT2A
Simazine SCHEMBL37774 0.74 LMNA (1.00) LMNACYP1A2CYP2C19KMT2AL3MBTL1
Simazine SCHEMBL9130727 0.74 LMNA (1.00) LMNACYP1A2CYP2C19KMT2AL3MBTL1

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-0024841-A1 Plant physiologically active composition and use FBC LIMITED (GB) 1981-03-11 EP disclosed