SCHEMBL29416376

SCHEMBL29416376

CCC(Nc1cccnc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ FDPS P14324 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ PKM P14618 3/20 0.49
▸ CFTR P13569 1/20 0.49
▸ GOPC Q9HD26 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ TRPV1 Q8NER1 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NAMPT P43490 2/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL30340371 1.00 NPC1 (0.50) NPC1RAB9AKMT2AFDPSMEN1
SCHEMBL14053150 0.86 FDPS (0.51) NPC1RAB9AFDPSPKMCFTR
SCHEMBL14052936 0.86 FDPS (0.51) NPC1RAB9AFDPSPKMCFTR
SCHEMBL3996687 0.82 CYP1A2 (0.62) NPC1RAB9AFDPSPKMCFTR
SCHEMBL17241634 0.81 NPSR1 (0.47) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL31052770 0.81 FDPS (0.44) NPC1RAB9AKMT2AFDPSMEN1
SCHEMBL4526295 0.81 ALDH1A1 (0.50) RAB9AKMT2AMEN1PKMLMNA
SCHEMBL8635820 0.81 ALDH1A1 (0.50) RAB9AKMT2AMEN1PKMLMNA
SCHEMBL2878630 0.81 ALDH1A1 (0.50) RAB9AKMT2AMEN1PKMLMNA
SCHEMBL1457767 0.80 SMN1; SMN2 (0.49) RAB9ALMNAPOLBALDH1A1L3MBTL1

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-117615760-A Extended dosage regimen for integrin inhibitors 普利安特治疗公司 2024-02-27 — — CN disclosed
CN-115989235-A Methods of treating respiratory diseases using amino acid compounds 普利安特治疗公司 2023-04-18 — — CN disclosed
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