SCHEMBL8804947

SCHEMBL8804947

Cc1c(CC(=O)Nc2ccncc2)c2cc(F)ccc2n1Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ PTGDR2 Q9Y5Y4 5/20 0.53
▸ MAPT P10636 5/20 0.49
▸ TP53 P04637 1/20 0.47
▸ PLA2G2A P14555 5/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9054194 0.94 PTGDR2 (0.56) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL8805925 0.93 MAPT (0.54) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL9055101 0.91 LMNA (0.69) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL8805294 0.91 KDM4E (0.49) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL8418121 0.81 PLA2G2A (0.53) PLA2G2AMEN1KMT2A
SCHEMBL8804492 0.78 YES1 (0.54) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL2168842 0.77 FAAH (0.64) KDM4ECYP1A2CYP3A4CYP2C9TSHR
SCHEMBL8296713 0.77 PLA2G2A (0.77) PTGDR2PLA2G2A
SCHEMBL3010246 0.75 RAB9A (0.49) KDM4EMAPTTP53PLA2G2AMEN1
SCHEMBL16222850 0.73 RAB9A (0.55) LMNAPLA2G2AMEN1KMT2APTGS2

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-0775131-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA Medica Aktiengesellschaft (DE) 1997-05-28 — — EP disclosed
WO-1996004266-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-02-15 — — WO disclosed
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