SCHEMBL24135397

SCHEMBL24135397

CCc1cnn(-c2cc(C)c(C#N)cn2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 16/20 0.47
KCNH2 Q12809 2/20 0.44
ABCB11 O95342 1/20 0.44
POU2F2 P09086 1/20 0.44
POU2F1 P14859 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM5A P29375 1/20 0.33
EGLN2 Q96KS0 1/20 0.32

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
SCHEMBL30445113 0.88 KCNJ1 (0.48) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL20168335 0.88 KCNJ1 (0.48) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL21243688 0.85 KCNJ1 (0.47) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL28362242 0.84 KCNJ1 (0.43) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL20176738 0.82 KCNJ1 (0.41) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL23586685 0.80 KCNJ1 (0.57) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL24135356 0.77 KCNJ1 (0.42) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL20168616 0.77 KCNJ1 (0.42) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL30445170 0.77 KCNJ1 (0.42) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL30444639 0.77 KCNJ1 (0.52) KCNJ1KCNH2ABCB11POU2F2POU2F1

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-3929194-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2021-12-29 EP disclosed