SCHEMBL6257685

SCHEMBL6257685

Cc1ccc2[nH]cc(C(=O)c3ccccc3[N+](=O)[O-])c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NR4A2 P43354 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ GPR84 Q9NQS5 1/20 0.47
▸ KDR P35968 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ CDK4 P11802 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ GABRP O00591 1/20 0.44
▸ GABRD O14764 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44

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
SCHEMBL6273670 0.84 GPR84 (0.68) ALDH1A1RAB9ANR4A2KMT2AGPR84
SCHEMBL6238042 0.79 LMNA (0.56) ALDH1A1LMNARAB9ANR4A2KDM4E
SCHEMBL9717042 0.77 POLB (0.52) ALDH1A1LMNARAB9AKMT2AKDM4E
SCHEMBL31006022 0.76 TSHR (0.52) ALDH1A1LMNARAB9ANR4A2KMT2A
SCHEMBL31406948 0.76 KCNMA1 (0.56) ALDH1A1LMNARAB9AKMT2AKDM4E
SCHEMBL975117 0.74 ALDH1A1 (0.68) ALDH1A1RAB9AKMT2AKDM4E
SCHEMBL31406949 0.74 HTT (0.56) ALDH1A1LMNARAB9APOLBHPGD
SCHEMBL3976054 0.73 NR4A2 (0.71) ALDH1A1LMNARAB9ANR4A2KDM4E
SCHEMBL7262531 0.72 GAA (0.60) ALDH1A1LMNARAB9AKMT2AKDM4E
SCHEMBL6327424 0.72 GPR84 (0.60) ALDH1A1LMNARAB9ANR4A2KMT2A

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
WO-2005000813-A1 HETEROARYLAMINO-PHENYLKETONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-06 — — WO disclosed
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