SCHEMBL29005141

SCHEMBL29005141

O=C(O)c1ccn(C(F)C(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33
KLKB1 P03952 1/20 0.33
ELANE P08246 1/20 0.33
MME P08473 1/20 0.32
MMEL1 Q495T6 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MGLL Q99685 2/20 0.31
NAPRT Q6XQN6 2/20 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
SCHEMBL298871 0.85 SMN1; SMN2 (0.37) SMN1; SMN2APOBEC3AAPOBEC3GAKR1C3AKR1C1
SCHEMBL29052704 0.84 ALDH1A1 (0.32) SMN1; SMN2ALOX15F2PLAUELANE
SCHEMBL10026473 0.77 MME (0.39) SMN1; SMN2AKR1C3AKR1C1KDM4EALOX15
SCHEMBL29005126 0.76 CYP1A2 (0.45) SMN1; SMN2KDM4ETSHRPOLB
SCHEMBL18158115 0.74 SMN1; SMN2 (0.39) SMN1; SMN2APOBEC3AAPOBEC3GAKR1C3AKR1C1
SCHEMBL17489082 0.73 SMN1; SMN2 (0.38) SMN1; SMN2AKR1C3AKR1C1KDM4EALOX15
SCHEMBL28960941 0.71 P2RX7 (0.32)
SCHEMBL29224204 0.70 NOTUM (0.35)
SCHEMBL17853366 0.70 MME (0.43) SMN1; SMN2AKR1C3AKR1C1KDM4EALOX15
SCHEMBL22125628 0.70 MME (0.35) SMN1; SMN2AKR1C3AKR1C1KDM4EALOX15

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
CN-116528864-A Heteroaryl carboxamide compounds 安斯泰来制药株式会社 2023-08-01 CN disclosed
CN-116134018-A 2-oxoimidazolidine-4-carboxamide as NAV1.8 inhibitor 默沙东有限责任公司 2023-05-16 CN disclosed