SCHEMBL28197968

SCHEMBL28197968

NC(=O)c1cccc(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.55
EPAS1 Q99814 2/20 0.55
SERPINE1 P05121 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
RAB9A P51151 2/20 0.46
LMNA P02545 3/20 0.45
PARP1 P09874 6/20 0.44
ALDH1A1 P00352 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
FAAH O00519 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
P2RX7 Q99572 1/20 0.42

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
SCHEMBL422675 0.85 SERPINE1 (0.58) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL9124033 0.85 SERPINE1 (0.55) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL28094060 0.83 SERPINE1 (0.50) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL9126429 0.80 HIF1A (0.60) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL30475196 0.80 LMNA (0.58) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL27847928 0.78 MEN1 (0.59) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL2388331 0.78 HIF1A (0.49) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL2747091 0.76 SERPINE1 (0.50) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL9124063 0.75 HIF1A (0.51) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL21039142 0.74 ALDH1A1 (0.60) HIF1AEPAS1SERPINE1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107667088-A NOVEL BENZOIC ACID AMIDE COMPOUND 株式会社爱茉莉太平洋 2018-02-06 CN disclosed