SCHEMBL29213634

SCHEMBL29213634

O=Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRF1 P14222 2/20 0.59
▸ NOTUM Q6P988 10/20 0.48
▸ MAPT P10636 2/20 0.45
▸ CYP2E1 P05181 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ APP P05067 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ COMT P21964 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39

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
SCHEMBL1133732 0.82 MAPT (0.53) PRF1MAPTCYP2E1CYP3A4CYP2A6
SCHEMBL30112100 0.78 AR (0.51) MAPTPGR
SCHEMBL2241857 0.76 PRF1 (0.55) PRF1MAPTCYP2E1CYP3A4CYP2A6
SCHEMBL1133851 0.75 MAPT (0.47) PRF1MAPTCYP2E1CYP3A4CYP2A6
SCHEMBL15332488 0.75 ALDH1A1 (0.45) PRF1MAPTCYP2E1CYP3A4CYP2A6
SCHEMBL30861660 0.74 KIF11 (0.63) NOTUMCYP1A2COMTPDE3BPDE3A
SCHEMBL17115582 0.74 KIF11 (0.63) NOTUMCYP1A2COMTPDE3BPDE3A
SCHEMBL2698021 0.74 NOTUM (0.61) NOTUMCYP1A2COMTPDE3BPDE3A
SCHEMBL1133819 0.73 APP (0.54) PRF1MAPTCYP2E1CYP3A4CYP2A6
SCHEMBL2020947 0.72 PRF1 (0.55) PRF1MAPTCYP2E1CYP3A4CYP2A6

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
CN-117820303-A Tetrahydroacridine-9 carboxylic acid derivative and preparation method and application thereof 中国药科大学 2024-04-05 — — CN disclosed
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