SCHEMBL11549124

SCHEMBL11549124

CSc1ccc([N+](=O)[O-])c(/C=C(/C#N)C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ ALDH1A1 P00352 7/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ EGFR P00533 3/20 0.46
▸ POLB P06746 4/20 0.45
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LCK P06239 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL11549126 1.00 MAPT (0.53) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11550395 0.82 MAPT (0.57) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11550396 0.82 MAPT (0.57) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11551487 0.81 MAPT (0.63) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11551482 0.81 MAPT (0.63) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11547975 0.81 CYP1A2 (0.64) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11547970 0.81 CYP1A2 (0.64) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL4098990 0.78 ALDH1A1 (0.62) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL13741911 0.78 ALDH1A1 (0.62) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL4098988 0.78 ALDH1A1 (0.62) MAPTALDH1A1KDM4ESMN1; SMN2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4134981-A ANTIALLERGENS PFIZER INC. (US) 1979-01-16 — — US disclosed
US-4120962-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1978-10-17 — — US disclosed
US-4044134-A FUSED WITH QUINOLINE OR PYRIDINE, 2-METHYL, ETHYL, OR ACETYL GROUP PFIZER INC. (US) 1977-08-23 — — US disclosed
US-3974161-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1976-08-10 — — US disclosed
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