SCHEMBL31461660

SCHEMBL31461660

O=C(NCc1cc(-c2ccccc2[N+](=O)[O-])[nH]n1)c1ccccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 3/20 0.41
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
EIF4E P06730 1/20 0.39
DDX3X O00571 1/20 0.38

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
SCHEMBL23623650 0.85 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1RAB9AALDH1A1
SCHEMBL31461719 0.84 HDAC3 (0.47) HPGDSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL23623812 0.84 HPGD (0.46) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL31461684 0.82 SMN1; SMN2 (0.42) HPGDSMN1; SMN2RAB9AKDM4EHTT
SCHEMBL31461683 0.82 SMN1; SMN2 (0.42) HPGDSMN1; SMN2RAB9AKDM4EHTT
SCHEMBL23623348 0.79 ALDH1A1 (0.46) HPGDSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL23623561 0.79 TP53 (0.46) HPGDSMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL23623286 0.79 KMT2A (0.47) HPGDSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL24177602 0.78 POLB (0.47) HPGDSMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL23623252 0.78 TSHR (0.43) HPGDSMN1; SMN2KMT2AMEN1RAB9A

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-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed