SCHEMBL8297049

SCHEMBL8297049

CCc1cc(OC)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.59
MAPT P10636 6/20 0.56
CYP2D6 P10635 1/20 0.56
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TAAR1 Q96RJ0 1/20 0.53
GRM8 O00222 1/20 0.52
GRM4 Q14833 1/20 0.52
EGFR P00533 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
TTR P02766 1/20 0.49
JUN P05412 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7031564 0.89 RAB9A (0.60) RAB9AMAPTCYP2D6KDM4EALDH1A1
SCHEMBL345717 0.87 RAB9A (0.59) RAB9AMAPTCYP2D6KDM4EALDH1A1
SCHEMBL20614246 0.86 RAB9A (0.57) RAB9AMAPTCYP2D6KDM4EALDH1A1
SCHEMBL15649780 0.84 RAB9A (0.56) RAB9AMAPTCYP2D6KDM4EALDH1A1
SCHEMBL5083291 0.84 GPR35 (0.61) MAPTKDM4EALDH1A1TTRTDP1
SCHEMBL10729232 0.83 RAB9A (0.55) RAB9AMAPTCYP2D6KDM4EALDH1A1
SCHEMBL11158875 0.83 RAB9A (0.55) RAB9AMAPTCYP2D6KDM4EALDH1A1
SCHEMBL10729189 0.82 GABRA1 (0.65) RAB9AMAPTCYP2D6KDM4EALDH1A1
SCHEMBL11154751 0.82 RAB9A (0.51) RAB9AMAPTCYP2D6KDM4EALDH1A1
SCHEMBL10751886 0.81 RAB9A (0.53) RAB9AMAPTCYP2D6KDM4EALDH1A1

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-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 US disclosed