SCHEMBL11550395

SCHEMBL11550395

N#C/C(=C/c1cc(F)ccc1[N+](=O)[O-])C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ ALDH1A1 P00352 6/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ EGFR P00533 3/20 0.50
▸ POLB P06746 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ MCL1 Q07820 1/20 0.47
▸ LMNA P02545 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43

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
SCHEMBL11550396 1.00 MAPT (0.57) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11549351 0.91 MAPT (0.56) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11549348 0.91 MAPT (0.56) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11551487 0.85 MAPT (0.63) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11551482 0.85 MAPT (0.63) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11547970 0.82 CYP1A2 (0.64) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11549126 0.82 MAPT (0.53) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11549124 0.82 MAPT (0.53) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL11547975 0.82 CYP1A2 (0.64) MAPTALDH1A1KDM4ESMN1; SMN2EGFR
SCHEMBL13741911 0.82 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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