SCHEMBL23978811

SCHEMBL23978811

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPT P10636 3/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ DHPS P49366 1/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ LMNA P02545 5/20 0.38
▸ PKM P14618 1/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL23978853 0.92 DHPS (0.44) ALDH1A1MAPTDHPSSMN1; SMN2LMNA
SCHEMBL23978872 0.89 P2RX7 (0.46) P2RX7ALDH1A1HPGDMAPTCYP2C9
SCHEMBL30279386 0.85 P2RX7 (0.48) P2RX7ALDH1A1HPGDMAPTCYP2C9
SCHEMBL23978798 0.85 P2RX7 (0.48) P2RX7ALDH1A1HPGDMAPTCYP2C9
SCHEMBL30279364 0.84 SMN1; SMN2 (0.47) P2RX7ALDH1A1HPGDMAPTCYP2C9
SCHEMBL30279365 0.84 SMN1; SMN2 (0.47) P2RX7ALDH1A1HPGDMAPTCYP2C9
SCHEMBL23978808 0.84 SMN1; SMN2 (0.47) P2RX7ALDH1A1HPGDMAPTCYP2C9
SCHEMBL23978854 0.80 DHPS (0.45) ALDH1A1MAPTDHPSSMN1; SMN2LMNA
SCHEMBL23979086 0.78 SMN1; SMN2 (0.44) ALDH1A1MAPTDHPSSMN1; SMN2LMNA
SCHEMBL23978727 0.77 DHPS (0.48) ALDH1A1MAPTCYP2C9CYP2C19DHPS

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-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 — — WO disclosed
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