SCHEMBL21821540

SCHEMBL21821540

Cc1cc(C(=O)O)nn1-c1ccc(CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PPP1CA P62136 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ RPA1 P27694 5/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SCN9A Q15858 1/20 0.41

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
SCHEMBL18865628 0.83 CA9 (0.50) ALDH1A1MEN1KMT2AMAPT
SCHEMBL20788373 0.82 SMN1; SMN2 (0.57) SMN1; SMN2PPP1CAALDH1A1NPY5RRPA1
SCHEMBL1259296 0.81 ALDH1A1 (0.64) PPP1CAALDH1A1MAPK1NPY5RRPA1
SCHEMBL21821553 0.80 SMPD1 (0.49) SMN1; SMN2PPP1CAALDH1A1MAPK1NPY5R
SCHEMBL2865749 0.80 SMN1; SMN2 (0.66) SMN1; SMN2PPP1CAALDH1A1MAPK1NPY5R
SCHEMBL6052304 0.80 KMT2A (0.62) SMN1; SMN2PPP1CAALDH1A1MAPK1NPY5R
SCHEMBL27717194 0.79 RPA1 (0.74) SMN1; SMN2PPP1CAALDH1A1RPA1MEN1
SCHEMBL3117397 0.78 PTGS2 (0.58) SMN1; SMN2KMT2A
SCHEMBL2288170 0.78 MAPT (0.53) ALDH1A1L3MBTL1MAPTTDP1
SCHEMBL21821542 0.77 RPA1 (0.55) SMN1; SMN2PPP1CAALDH1A1MAPK1NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3696181-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS Forma Therapeutics, Inc. (US) 2020-08-19 — — EP disclosed
EP-3377493-B1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS INC (US) 2020-04-08 — — EP disclosed
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