SCHEMBL28633359

SCHEMBL28633359

CNC(C)CCCCN1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
USP2 O75604 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
CACNA2D1 P54289 1/20 0.33

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
SCHEMBL23101951 0.98 PAOX (0.44) PAOXSIGMAR1USP2ALDH1A1HPGD
SCHEMBL8071370 0.94 PAOX (0.39) PAOXSIGMAR1USP2ALDH1A1HPGD
SCHEMBL28642601 0.86 PAOX (0.33) PAOXSIGMAR1ALDH1A1TP53SMN1; SMN2
SCHEMBL9276057 0.80 CACNA2D1 (0.43) TP53SMN1; SMN2CACNA2D1
SCHEMBL22790763 0.80 CACNA2D1 (0.47) SMN1; SMN2CACNA2D1
SCHEMBL105381 0.79 PAOX (0.47) PAOXSIGMAR1USP2ALDH1A1HPGD
SCHEMBL26352150 0.78 HRH3 (0.48) SMN1; SMN2CACNA2D1
SCHEMBL8116181 0.78 PAOX (0.50) PAOXSIGMAR1USP2ALDH1A1HPGD
SCHEMBL24752794 0.78 PAOX (0.50) PAOXSIGMAR1USP2ALDH1A1HPGD
SCHEMBL26352153 0.77 MEN1 (0.33) USP2ALDH1A1HPGDTP53SMN1; SMN2

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-113453784-B Method for removing acid gases from fluid streams 巴斯夫欧洲公司 2024-09-13 CN disclosed
CN-113453784-A Process for removing acid gases from fluid streams 巴斯夫欧洲公司 2021-09-28 CN disclosed