SCHEMBL31309554

SCHEMBL31309554

Cc1cn2cc(C(=O)O)cc(O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 4/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MAPT P10636 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CA3 P07451 1/20 0.38
SELL P14151 1/20 0.38
HPGD P15428 1/20 0.38

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
Hydrochloric Acid SCHEMBL25416874 0.83 RXFP1 (0.49) MYCRXFP1KDM4EMAPTSMN1; SMN2
SCHEMBL4654965 0.82 RXFP1 (0.38) RXFP1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL25417959 0.82 GRM5 (0.38) RXFP1KDM4ESMN1; SMN2ALDH1A1TDP1
Bromide SCHEMBL5306710 0.81 RXFP1 (0.37) RXFP1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL31309517 0.80 GRM5 (0.51) KDM4ECA12CA1CA2CA7
SCHEMBL31309600 0.78 GRM5 (0.37) RXFP1KDM4EALDH1A1GRM5
SCHEMBL31309574 0.78 RXFP1 (0.33) RXFP1KDM4ESMN1; SMN2ALDH1A1TDP1
Alcohol SCHEMBL5419944 0.78 GRM5 (0.33) GAAALPLPLAAGRM5ALPG
SCHEMBL31309493 0.77 RXFP1 (0.38) RXFP1KDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL31309355 0.77 RXFP1 (0.35) RXFP1KDM4EMAPTSMN1; SMN2ALDH1A1

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-4731207-A2 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS Merck Sharp & Dohme LLC (US) 2026-04-29 EP disclosed
WO-2025006293-A2 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2025-01-02 WO disclosed