SCHEMBL9143643

SCHEMBL9143643

CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](n2ccccc2=O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.48
ABCC8 Q09428 2/20 0.40
KCNJ11 Q14654 2/20 0.40
KCNJ8 Q15842 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
ALPL P05186 1/20 0.39
HIF1A Q16665 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL7269364 1.00 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9143634 1.00 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8203937 0.87 ABCC9 (0.38) ABCC9LMNAALPLHIF1A
SCHEMBL8084937 0.86 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9451127 0.86 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL10696682 0.86 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9736167 0.86 ABCC9 (0.37) ABCC9LMNAALPLHIF1A
SCHEMBL8084431 0.85 ALDH1A1 (0.39) ABCC9CYP2C9CYP2C19LMNAALPL
SCHEMBL9451150 0.85 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8135770 0.85 ALPL (0.36) ABCC9ALPLHIF1A

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
US-5391751-A Hypotensive, antiarrhythmia, antiasthmatic agents RED BALLOON INVESTMENT LIMITED (JE) 1995-02-21 US disclosed