SCHEMBL9156355

SCHEMBL9156355

CC1(C)CC(O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TLR3 O15455 1/20 0.42
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
KDM1A O60341 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PNMT P11086 2/20 0.39

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
SCHEMBL6938882 0.81 CYP3A4 (0.44) HIF1AHSP90AA1ALDH1A1CHRNB4CHRNA3
SCHEMBL27342629 0.79 ALDH1A1 (0.41) HIF1AHSP90AA1ALDH1A1CHRNB4CHRNA3
SCHEMBL6935009 0.75 CYP19A1 (0.39) HIF1AHSP90AA1ALDH1A1CHRNB4CHRNA3
SCHEMBL10512684 0.74 HSP90AA1 (0.42) HIF1AHSP90AA1ALDH1A1CHRNB4CHRNA3
SCHEMBL10512678 0.74 HSP90AA1 (0.42) HIF1AHSP90AA1ALDH1A1CHRNB4CHRNA3
SCHEMBL10512674 0.74 HSP90AA1 (0.42) HIF1AHSP90AA1ALDH1A1CHRNB4CHRNA3
SCHEMBL6931992 0.74 CYP19A1 (0.40) HIF1AHSP90AA1ALDH1A1CHRNB4CHRNA3
SCHEMBL20704108 0.73 PNMT (0.47) HIF1AALDH1A1CHRNB4CHRNA3CHRNA7
SCHEMBL7655403 0.73 HIF1A (0.47) HIF1AHSP90AA1ALDH1A1CHRNB4CHRNA3
SCHEMBL9155877 0.72 TDP1 (0.45) HIF1AHSP90AA1ALDH1A1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401848-A Indane and quinoline derivatives E. R. SQUIBB & SONS, INC. (US) 1995-03-28 US disclosed
EP-0488616-A1 Indane and quinoline derivatives E.R. SQUIBB & SONS, INC. (US) 1992-06-03 EP disclosed
EP-0321175-A1 Indane derivatives BEECHAM GROUP PLC (GB) 1989-06-21 EP disclosed