SCHEMBL28754378

SCHEMBL28754378

C1=CC(N2CCNCC2)c2cccc3cccc1c23

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
GBA1 P04062 1/20 0.41
ALOX15 P16050 1/20 0.41
HK1 P19367 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HTR2A P28223 3/20 0.34
HTR3E A5X5Y0 3/20 0.34
HTR3B O95264 3/20 0.34
HTR3A P46098 3/20 0.34
HTR3D Q70Z44 3/20 0.34
HTR3C Q8WXA8 3/20 0.34
HTR5A P47898 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
NCF1 P14598 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL20504478 0.82 ALDH1A1 (0.43) SMN1; SMN2CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL28132562 0.75 USP2 (0.37) USP2GBA1ALOX15HK1HKDC1
SCHEMBL27773908 0.72 MEN1 (0.33) KMT2A
SCHEMBL23326259 0.70 MEN1 (0.38) SMN1; SMN2HSD17B10HPGDALDH1A1KDM4E
SCHEMBL21994384 0.70 CYP1A2 (0.32) CYP1A2HSD17B10HPGDALDH1A1
SCHEMBL11035480 0.69 ALDH1A1 (0.36) ALOX15CYP1A2CYP2D6TSHRHTR6
SCHEMBL8655888 0.69
SCHEMBL6541973 0.68 ALDH1A1 (0.32) CYP1A2TSHRHSD17B10HPGDALDH1A1
SCHEMBL28577718 0.68 CYP19A1 (0.42)
SCHEMBL8118171 0.67 OPRM1 (0.47) SMN1; SMN2HTR2AHTR3EHTR3BHTR3A

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-112010653-B Fiber-reinforced silicon-boron-nitrogen composite material and preparation method thereof 航天特种材料及工艺技术研究所 2022-04-12 CN disclosed
CN-112010653-A Fiber-reinforced silicon-boron-nitrogen composite material and preparation method thereof 航天特种材料及工艺技术研究所 2020-12-01 CN disclosed