SCHEMBL8124685

SCHEMBL8124685

O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1CCO

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.62
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
ATM Q13315 1/20 0.53
CYP19A1 P11511 1/20 0.45
KMT2A Q03164 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
GLS O94925 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
F2R P25116 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
F2RL3 Q96RI0 1/20 0.40

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
SCHEMBL26597106 0.88 POLB (0.52) CCR2POLBMAPTATMCYP19A1
SCHEMBL6018883 0.88 CCR2 (0.61) CCR2POLBMAPTCYP19A1KMT2A
SCHEMBL1415761 0.85 CCR2 (0.63) CCR2MAPTCYP19A1KMT2ACYP1A2
SCHEMBL15712743 0.82 CCR2 (0.77) CCR2
SCHEMBL15712653 0.82 CCR2 (0.60) CCR2POLBMAPTCYP19A1KMT2A
SCHEMBL8131716 0.81 MAPT (0.50) CCR2POLBMAPTATMCYP19A1
SCHEMBL3052651 0.80 CYP19A1 (0.59) CCR2MAPTCYP19A1KMT2AALDH1A1
SCHEMBL6301018 0.80 CCR2 (0.85) CCR2
SCHEMBL2122743 0.79 CYP19A1 (0.66) CCR2POLBMAPTATMCYP19A1
SCHEMBL8124443 0.79 CCR2 (0.56) CCR2CYP19A1ALDH1A1CYP1A2SMN1; SMN2

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
EP-1049701-A1 TRICYCLIC INDOLENE SUBSTITUTED OXAZOLIDINONES BAYER AG (DE) 2000-11-08 EP disclosed
WO-1999037652-A1 TRICYCLIC INDOLENE SUBSTITUTED OXAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed