SCHEMBL8418121

SCHEMBL8418121

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 16/20 0.53
▸ PLA2G1B P04054 1/20 0.48
▸ PPARG P37231 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45

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
SCHEMBL8805294 0.91 KDM4E (0.49) PLA2G2APPARGMEN1KMT2A
SCHEMBL9054194 0.87 PTGDR2 (0.56) PLA2G2APLA2G1BMEN1KMT2A
SCHEMBL8805164 0.81 YES1 (0.52) PLA2G2A
SCHEMBL8804947 0.81 KDM4E (0.54) PLA2G2AMEN1KMT2A
SCHEMBL8805925 0.78 MAPT (0.54) PLA2G2AMEN1KMT2A
SCHEMBL9055101 0.76 LMNA (0.69) PLA2G2APLA2G1BMEN1KMT2A
SCHEMBL8805948 0.76 YES1 (0.66) —
SCHEMBL8805165 0.74 KDM4E (0.45) MEN1KMT2A
SCHEMBL8805149 0.72 YES1 (0.48) —
SCHEMBL8292857 0.71 PLA2G2A (0.80) PLA2G2A

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
US-5965582-A ANTIHISTAMINES ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-10-12 — — US claimed
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 claimed
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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