SCHEMBL9338951

SCHEMBL9338951

CC1C(=O)NC1/C=C\c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
FBP1 P09467 1/20 0.40
LMNA P02545 3/20 0.39
KDM1A O60341 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL9338958 1.00 MAPT (0.42) MAPTALDH1A1POLBHPGDFBP1
SCHEMBL9338961 1.00 MAPT (0.42) MAPTALDH1A1POLBHPGDFBP1
SCHEMBL9338948 1.00 MAPT (0.42) MAPTALDH1A1POLBHPGDFBP1
SCHEMBL9338944 1.00 MAPT (0.42) MAPTALDH1A1POLBHPGDFBP1
SCHEMBL5963254 0.79 MAPT (0.42) MAPTALDH1A1POLBHPGDFBP1
SCHEMBL5963253 0.79 MAPT (0.42) MAPTALDH1A1POLBHPGDFBP1
SCHEMBL9358029 0.78 MAPT (0.41) MAPTALDH1A1POLBHPGDLMNA
SCHEMBL9789117 0.78 MAPT (0.43) MAPTALDH1A1POLBHPGDLMNA
SCHEMBL7360682 0.78 ALDH1A1 (0.40) MAPTALDH1A1POLBHPGDLMNA
SCHEMBL9845163 0.78 MAPT (0.43) MAPTALDH1A1POLBHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5362902-A Diuretics and treatment of cardiovascular disorders PFIZER INC. (US) 1994-11-08 US disclosed
WO-1991008195-A1 N-(1-(2-CARBOXYETHYL)CYCLOALKYL CARBONYL)-BETA-ALANINE DERIVATIVES FOR PHARMACEUTICAL USE PFIZER LIMITED (GB) 1991-06-13 WO disclosed