SCHEMBL11099989

SCHEMBL11099989

CCCCCCCCNC(=O)/C(C)=C/c1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ EGFR P00533 1/20 0.46
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 3/20 0.42
▸ NAAA Q02083 1/20 0.42
▸ STS P08842 1/20 0.42
▸ EPHX1 P07099 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL11099991 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AEGFR
SCHEMBL11224571 0.84 NAAA (0.51) ALDH1A1SMN1; SMN2EGFRHPGDALOX15
SCHEMBL11108507 0.81 GLO1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL11108502 0.81 GLO1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL11099219 0.79 EGFR (0.71) EGFRHPGDKMT2ACYP1A2CYP2C19
SCHEMBL11099216 0.79 EGFR (0.71) EGFRHPGDKMT2ACYP1A2CYP2C19
SCHEMBL8757271 0.78 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AEGFR
SCHEMBL8756886 0.78 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AEGFR
SCHEMBL6657315 0.78 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AEGFR
SCHEMBL8756892 0.78 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AEGFR

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
EP-0047119-B1 CARBOXAMIDE COMPOUNDS AS SRS-A ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THE PREPARATION, AND INTERMEDIATES USEFUL THEREIN PFIZER INC. (US) 1984-05-09 — — EP disclosed
US-4343813-A ANTIANAPHYLACTIC AGENTS PFIZER INC. (US) 1982-08-10 — — US disclosed
EP-0047119-A1 Carboxamide compounds as SRS-A antagonists, pharmaceutical compositions containing them, processes for the preparation, and intermediates useful therein PFIZER INC. (US) 1982-03-10 — — EP disclosed
US-4296120-A ANTIANAPHYLACTIC PFIZER INC. (US) 1981-10-20 — — US disclosed
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