SCHEMBL8694246

SCHEMBL8694246

CCCCn1cc(C(=O)OCC)c(NC(=O)N(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TEAD2 Q15562 1/20 0.41
KMT2A Q03164 2/20 0.38
HCAR2 Q8TDS4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
TSHR P16473 3/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE5A O76074 1/20 0.34
PDE4B Q07343 1/20 0.34
IKBKB O14920 1/20 0.34
AGTR1 P30556 1/20 0.34

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
SCHEMBL8696094 0.93 TEAD2 (0.38) TEAD2KMT2AKDM4EHPGDBAZ2B
SCHEMBL8693715 0.88 TEAD2 (0.40) TEAD2KMT2AHCAR2KDM4EHPGD
SCHEMBL8693052 0.88 TEAD2 (0.40) TEAD2KMT2AHCAR2KDM4EHPGD
SCHEMBL8696818 0.85 HTT (0.41) TEAD2KMT2AHCAR2KDM4ETSHR
SCHEMBL8693502 0.84 ALDH1A1 (0.46) TEAD2KMT2AKDM4ETSHRMAPT
SCHEMBL8696011 0.84 KDM4E (0.40) TEAD2KMT2AKDM4EHPGDBAZ2B
SCHEMBL8694568 0.83 TEAD2 (0.39) TEAD2KMT2AHCAR2KDM4EHPGD
SCHEMBL8692506 0.83 TEAD2 (0.39) TEAD2KMT2AHCAR2KDM4EHPGD
SCHEMBL8693098 0.82 HTT (0.43) TEAD2KMT2AHCAR2KDM4ETSHR
SCHEMBL8696080 0.82 TEAD2 (0.41) TEAD2KMT2AHCAR2KDM4EBAZ2B

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-5849779-A Pyrazole derivatives and their pharmaceutical use JAPAN ENERGY CORPORATION (JP) 1998-12-15 US disclosed
EP-0810217-A1 Pyrazole derivatives and their pharmaceutical use as smooth muscle cell growth inhibitors JAPAN ENERGY CORPORATION (JP) 1997-12-03 EP disclosed