SCHEMBL31056388

SCHEMBL31056388

NC(=O)c1ccccc1N1CCCC1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.44
PARP2 Q9UGN5 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PARP1 P09874 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43

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
SCHEMBL6568198 0.95 NPC1 (0.59) NPC1APOBEC3AAPOBEC3GALDH1A1RAB9A
SCHEMBL7131857 0.86 APOBEC3A (0.48) NPC1APOBEC3AAPOBEC3GALDH1A1RAB9A
SCHEMBL1280419 0.85 ALDH1A1 (0.54) NPC1APOBEC3AAPOBEC3GALDH1A1RAB9A
SCHEMBL743303 0.85 MEN1 (0.46) NPC1APOBEC3AAPOBEC3GALDH1A1RAB9A
SCHEMBL10867730 0.84 NPC1 (0.43) NPC1APOBEC3AAPOBEC3GALDH1A1RAB9A
SCHEMBL3687116 0.82 ALDH1A1 (0.49) NPC1ALDH1A1RAB9APARP2MAPT
SCHEMBL31056512 0.81 APOBEC3A (0.52) NPC1APOBEC3AAPOBEC3GALDH1A1MAPT
SCHEMBL27892679 0.80 APOBEC3A (0.55) NPC1APOBEC3AAPOBEC3GALDH1A1RAB9A
SCHEMBL17185312 0.80 APOBEC3A (0.61) NPC1APOBEC3AAPOBEC3GALDH1A1RAB9A
Hydrochloric Acid SCHEMBL27966304 0.80 NPC1 (0.46) NPC1APOBEC3AAPOBEC3GALDH1A1RAB9A

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed