SCHEMBL11595331

SCHEMBL11595331

S=C1NCC(c2ccccc2)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.36
ALOX12 P18054 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 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
SCHEMBL9872211 0.76 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10GAAMEN1
SCHEMBL13136713 0.76 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10GAAMEN1
SCHEMBL3623346 0.74 HSD17B10 (0.56) ALDH1A1HPGDTSHRHSD17B10CYP1A2
SCHEMBL6186101 0.74 ALDH1A1 (0.37) ALDH1A1HPGDTSHRHSD17B10CYP1A2
SCHEMBL8977708 0.73 SLC6A2 (0.43) CYP2D6
SCHEMBL11594491 0.68 CA2 (0.46) MEN1KMT2A
SCHEMBL10833495 0.65 MAOB (0.65) ALDH1A1TSHRHSD17B10GAAMEN1
SCHEMBL1203394 0.65 TSHR (0.35) ALDH1A1HPGDTSHRHSD17B10CYP1A2
SCHEMBL11883999 0.64 MEN1 (0.50) ALDH1A1TSHRHSD17B10CYP3A4CYP2D6
SCHEMBL9629659 0.64 MEN1 (0.46) ALDH1A1HPGDCYP3A4CYP2D6GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113668026-B Preparation method of multifunctional carbon fiber fabric 安徽三宝棉纺针织投资有限公司 2022-10-11 CN disclosed
CN-113668026-A Preparation method of multifunctional carbon fiber fabric 安徽三宝棉纺针织投资有限公司 2021-11-19 CN disclosed
US-4105450-A SPECTRALLY SENSITIZED POSITIVE LIGHT-SENSITIVE O-QUINONE DIAZIDE CONTAINING COMPOSITION FUJI PHOTO FILM CO., LTD. (JP) 1978-08-08 US disclosed