SCHEMBL31435336

SCHEMBL31435336

Cc1cnc(CO)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
NOTUM Q6P988 3/20 0.36
S1PR1 P21453 1/20 0.35
DHFR P00374 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MBOAT4 Q96T53 1/20 0.32
AR P10275 1/20 0.32
ASPH Q12797 1/20 0.32
ABL1 P00519 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
KIF11 P52732 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL21535203 0.84 DHFR (0.31) NR1H2NR1H3AGBL2DHFRALDH1A1
SCHEMBL10233515 0.83 GPBAR1 (0.39) NR1H2NR1H3AGBL2ALDH1A1MBOAT4
SCHEMBL31435358 0.81 AGBL2 (0.33) NR1H2NR1H3AGBL2ALDH1A1MBOAT4
SCHEMBL31435301 0.78 MBOAT4 (0.42) NOTUMS1PR1ALDH1A1MBOAT4ASPH
SCHEMBL19609733 0.78 NOTUM (0.46) NOTUMS1PR1DHFRALDH1A1
SCHEMBL15417759 0.76 NOS3 (0.44) NOTUMDHFRALDH1A1ABL1
SCHEMBL6921026 0.76 UHRF1 (0.43) NR1H2NR1H3AGBL2NOTUMS1PR1
SCHEMBL24081712 0.75 GABRA2 (0.39) NR1H2NR1H3S1PR1ALDH1A1AR
SCHEMBL20802304 0.75 AGBL2 (0.35) NR1H2NR1H3AGBL2NOTUMS1PR1
SCHEMBL15350441 0.73 ALDH1A1 (0.40) AGBL2ALDH1A1CYP1A2CYP3A4CYP2C9

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-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed