SCHEMBL9054194

SCHEMBL9054194

Cc1c(CC(=O)Nc2ccncc2)c2cc(F)ccc2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.56
▸ PLA2G2A P14555 13/20 0.55
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PLA2G1B P04054 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL8804947 0.94 KDM4E (0.54) PTGDR2PLA2G2AMEN1MAPTKMT2A
SCHEMBL8805925 0.87 MAPT (0.54) PTGDR2PLA2G2AMEN1MAPTKMT2A
SCHEMBL8418121 0.87 PLA2G2A (0.53) PLA2G2AMEN1KMT2APLA2G1B
SCHEMBL9055101 0.85 LMNA (0.69) PLA2G2AMEN1MAPTKMT2APLA2G1B
SCHEMBL8805294 0.85 KDM4E (0.49) PTGDR2PLA2G2AMEN1MAPTKMT2A
SCHEMBL8296713 0.83 PLA2G2A (0.77) PTGDR2PLA2G2A
SCHEMBL8805590 0.79 YES1 (0.55) PLA2G2AKMT2AKDM4ELMNA
SCHEMBL2168842 0.74 FAAH (0.64) PTGDR2MEN1MAPTKMT2AKDM4E
SCHEMBL8805746 0.73 YES1 (0.69) PLA2G2AMEN1KMT2ALMNA
SCHEMBL10778316 0.73 MAPT (0.59) PTGDR2PLA2G2AMEN1MAPTKMT2A

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-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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