SCHEMBL30279365

SCHEMBL30279365

COC(=O)c1c(Cl)cc2c(c1Cl)CCN(Cc1cccc(Cl)c1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ PKM P14618 4/20 0.47
▸ MAPT P10636 6/20 0.46
▸ LMNA P02545 5/20 0.46
▸ P2RX7 Q99572 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 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
SCHEMBL23978808 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL30279364 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL30279426 0.92 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL23978723 0.92 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL23978743 0.90 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL30279442 0.90 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL10129825 0.90 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL30279422 0.90 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1PKMMAPTLMNA
SCHEMBL23978798 0.88 P2RX7 (0.48) SMN1; SMN2ALDH1A1MAPTLMNAP2RX7
SCHEMBL30279386 0.88 P2RX7 (0.48) SMN1; SMN2ALDH1A1MAPTLMNAP2RX7

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-4142707-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF The Regents of the University of California (US) 2023-03-08 — — EP disclosed
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