SCHEMBL31389688

SCHEMBL31389688

O=C(OC1CC(n2cncc2C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
PTPN2 P17706 3/20 0.49
PTPN1 P18031 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39

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
SCHEMBL31389983 0.85 POLB (0.41) POLBSMN1; SMN2MAPTALDH1A1CYP2D6
Bicarbonate SCHEMBL31389668 0.84 POLB (0.40) POLBSMN1; SMN2MAPTALDH1A1CYP2D6
SCHEMBL31389804 0.81 POLB (0.58) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL31389410 0.76 POLB (0.58) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL743845 0.74 POLB (1.00) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL26925068 0.73 POLB (0.65) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL23086434 0.72 POLB (0.77) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL23086437 0.72 POLB (0.77) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL3977630 0.72 POLB (0.90) POLBPTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL23086436 0.72 POLB (0.77) POLBPTPN2PTPN1SMN1; SMN2MAPT

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed