SCHEMBL31461667

SCHEMBL31461667

O=C(NCc1cc2c3ccccc3nc(C(F)(F)F)n2n1)c1ccccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
RIPK1 Q13546 2/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
NOD2 Q9HC29 1/20 0.39
F2R P25116 1/20 0.39
TACR3 P29371 1/20 0.39
EGFR P00533 1/20 0.38
BTK Q06187 1/20 0.38
PTGER4 P35408 1/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
HCN1 O60741 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
TACR1 P25103 2/20 0.37

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
SCHEMBL31461693 0.89 ALDH1A1 (0.44) ALDH1A1HTTRIPK1KDM4ELMNA
SCHEMBL30623744 0.89 ALDH1A1 (0.40) ALDH1A1HTTRIPK1KDM4ELMNA
SCHEMBL31461717 0.89 EGFR (0.42) ALDH1A1HTTRIPK1KDM4ELMNA
SCHEMBL26629778 0.89 ALDH1A1 (0.40) ALDH1A1HTTRIPK1KDM4ELMNA
SCHEMBL31461721 0.87 F2R (0.41) ALDH1A1HTTRIPK1KDM4ELMNA
SCHEMBL26601311 0.87 POLB (0.38) ALDH1A1HTTRIPK1LMNARAB9A
SCHEMBL31675879 0.87 POLB (0.38) ALDH1A1HTTRIPK1LMNARAB9A
SCHEMBL31461697 0.86 ALDH1A1 (0.41) ALDH1A1HTTRIPK1KDM4ELMNA
SCHEMBL31461714 0.86 ADRA2A (0.42) ALDH1A1HTTRIPK1KDM4ELMNA
SCHEMBL31461702 0.86 ALDH1A1 (0.41) ALDH1A1HTTRIPK1KDM4ELMNA

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