SCHEMBL30051353

SCHEMBL30051353

Cn1cnc2cc(Oc3c([N+](=O)[O-])ccc(F)c3Cl)cnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
PIN1 Q13526 2/20 0.35
LMNA P02545 6/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAPT P10636 6/20 0.33
HTT P42858 5/20 0.33
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 2/20 0.33
EPAS1 Q99814 1/20 0.32
RAB9A P51151 2/20 0.32
NLRP1 Q9C000 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSPB1 P04792 1/20 0.32
HTR7 P34969 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL30051419 0.83 GRM5 (0.40) GRM5PIN1LMNAKMT2AMAPT
SCHEMBL29197501 0.80 GRM5 (0.38) GRM5PIN1LMNAMAPTHTT
SCHEMBL29197364 0.80 GRM5 (0.38) GRM5PIN1LMNAMAPTHTT
SCHEMBL30050403 0.78 GRM5 (0.41) GRM5LMNAMAPTHTTALDH1A1
SCHEMBL30050598 0.76 GRM5 (0.39) GRM5PIN1LMNAMAPTHTT
SCHEMBL30050124 0.73 PDE7A (0.52) GRM5LMNAKMT2AMAPTALDH1A1
SCHEMBL30050656 0.69 L3MBTL1 (0.46) GRM5LMNAKMT2AMAPTHTT
SCHEMBL24569525 0.68 KMT2A (0.44) GRM5LMNAKMT2AMAPTHTT
SCHEMBL30050278 0.68 KMT2A (0.40) LMNAKMT2AMAPTHTTALDH1A1
SCHEMBL19181006 0.68 TDP1 (0.47) LMNAKMT2AHTR2AHTR2CHTR2B

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-2022269531-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-12-29 WO disclosed