SCHEMBL31461697

SCHEMBL31461697

CSc1nc2ccccc2c2cc(CNC(=O)c3ccccc3OC(F)(F)F)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
F2R P25116 1/20 0.39
HCN1 O60741 1/20 0.38
KCNK3 O14649 3/20 0.38
KCNK9 Q9NPC2 3/20 0.38
HPGD P15428 3/20 0.38
ADRA2A P08913 2/20 0.38
NPY5R Q15761 2/20 0.38
MCHR1 Q99705 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
NOD2 Q9HC29 1/20 0.37
RIPK1 Q13546 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 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
SCHEMBL26629775 1.00 ALDH1A1 (0.41) ALDH1A1HTTF2RHCN1KCNK3
SCHEMBL31461702 1.00 ALDH1A1 (0.41) ALDH1A1HTTF2RHCN1KCNK3
SCHEMBL26601311 0.90 POLB (0.38) ALDH1A1HTTF2RHCN1HPGD
SCHEMBL31675879 0.90 POLB (0.38) ALDH1A1HTTF2RHCN1HPGD
SCHEMBL26630686 0.89 EGFR (0.37) ALDH1A1HTTF2RHCN1KCNK3
SCHEMBL31461693 0.88 ALDH1A1 (0.44) ALDH1A1HTTF2RHCN1KCNK3
SCHEMBL31571994 0.88 KMT2A (0.41) ALDH1A1HTTF2RHCN1ADRA2A
SCHEMBL26601358 0.87 PDE10A (0.49) ALDH1A1TP53RAB9AL3MBTL1
SCHEMBL31675858 0.87 PDE10A (0.49) ALDH1A1TP53RAB9AL3MBTL1
Trifluoroacetic Acid SCHEMBL30623528 0.87 EGFR (0.38) ALDH1A1HTTF2RHCN1ADRA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090847-A1 ESTROGEN RECEPTOR DEGRADERS AND THEIR USE IN THE TREATMENT OF CANCER BPGBIO, INC. (US) 2025-05-01 WO disclosed
WO-2025024543-A1 TRICYCLIC UBE2K MODULATORS AND METHODS FOR THEIR USE BPGBIO, INC. (US) 2025-01-30 WO disclosed