SCHEMBL3716217

SCHEMBL3716217

CSc1ncc(C(=O)O)c(N(c2ccccc2)C2CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ RXFP1 Q9HBX9 5/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3722179 0.91 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1POLBTDP1THRB
SCHEMBL3723384 0.86 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBTDP1MEN1
SCHEMBL3713598 0.70 MEN1 (0.36) MEN1KMT2A
SCHEMBL6016541 0.69 THRB (0.66) POLBTHRBRXFP1NTRK1MEN1
SCHEMBL1014948 0.69 MEN1 (0.46) ALDH1A1POLBTDP1THRBRXFP1
SCHEMBL16415196 0.68 PDE4B (0.39) MEN1KMT2A
SCHEMBL6872458 0.67 KMT2A (0.63) SMN1; SMN2ALDH1A1POLBTDP1THRB
SCHEMBL1587409 0.67 KMT2A (0.44) SMN1; SMN2ALDH1A1POLBTDP1THRB
SCHEMBL1014147 0.67 KMT2A (0.44) SMN1; SMN2ALDH1A1POLBTDP1THRB
SCHEMBL46639 0.66 MEN1 (0.53) ALDH1A1POLBTDP1THRBRXFP1

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
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — WO disclosed
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