SCHEMBL9055282

SCHEMBL9055282

COc1ccc([N+](=O)[O-])c(NCCc2cn(Cc3ccc(F)cc3)c3ccccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TXNRD1 Q16881 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTR6 P50406 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC10 Q969S8 1/20 0.41
CYP19A1 P11511 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
YES1 P07947 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL9054192 0.87 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8806022 0.83 CDK2 (0.49) MEN1KMT2AMAPTNPSR1TXNRD1
SCHEMBL9056319 0.78 KMT2A (0.46) MEN1KMT2AALDH1A1MAPTHSP90AA1
SCHEMBL8416406 0.75 RXFP1 (0.41) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL8805765 0.75 TXNRD1 (0.43) MEN1KMT2AALDH1A1MAPTTXNRD1
SCHEMBL9538744 0.74 TXNRD1 (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8416383 0.72 MTNR1A (0.45) KMT2AMAPTHTR6HDAC6HDAC10
SCHEMBL8805377 0.72 POLB (0.44) MEN1KMT2AALDH1A1MAPTHSP90AA1
SCHEMBL8418190 0.71 CYP19A1 (0.58) MEN1KMT2AALDH1A1HTTCYP3A4
SCHEMBL9053943 0.70 HTR6 (0.47) MEN1KMT2AALDH1A1HTTCYP3A4

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-1996004266-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-02-15 WO disclosed