SCHEMBL7023548

SCHEMBL7023548

Cc1ccc2occ(C#N)c(=O)c2c1.O=c1c(Br)coc2c(Cl)cc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.39
▸ MAOB P27338 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAOA P21397 2/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL13978657 0.80 ALDH1A1 (0.55) MAOBALDH1A1KMT2ATDP1POLB
SCHEMBL30947812 0.80 ALDH1A1 (0.55) MAOBALDH1A1KMT2ATDP1POLB
SCHEMBL981569 0.80 PTPN1 (0.56) PTPN1ALDH1A1KMT2ATDP1POLB
SCHEMBL9056199 0.76 ALDH1A1 (0.55) MAOBALDH1A1MAOACYP3A4CYP2D6
SCHEMBL10991271 0.74 PTPN1 (0.56) PTPN1MAOBALDH1A1KMT2ATDP1
SCHEMBL7026584 0.73 PTPN1 (0.64) PTPN1MAOBALDH1A1KMT2ATDP1
SCHEMBL16477279 0.70 MAPT (0.50) ALDH1A1KMT2AMAPTCYP3A4RAB9A
SCHEMBL11266430 0.69 PTPN1 (0.56) PTPN1MAOBALDH1A1KMT2ATDP1
SCHEMBL16982170 0.68 ALDH1A1 (0.55) MAOBALDH1A1KMT2ATDP1GAA
SCHEMBL31619652 0.67 PTPN1 (0.58) PTPN1ALDH1A1KMT2ATDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322308-A2 DEVICES AND METHODS FOR MANAGEMENT OF INFLAMMATION Durect Corporation (US) 2003-07-02 — — EP disclosed
WO-2002028366-A9 DEVICES AND METHODS FOR MANAGEMENT OF INFLAMMATION DURECT CORP (US) 2003-02-13 — — WO disclosed
WO-2002028366-A2 DEVICES AND METHODS FOR MANAGEMENT OF INFLAMMATION DURECT CORPORATION (US) 2002-04-11 — — WO disclosed
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