SCHEMBL28484890

SCHEMBL28484890

CC(C)C(=O)Nc1csc(-c2c(O)cccc2O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TYR P14679 1/20 0.45
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ ADORA1 P30542 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ CDK5 Q00535 4/20 0.39
▸ CDK5R1 Q15078 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38

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
SCHEMBL23409707 0.77 ESR1 (0.39) SMN1; SMN2RAB9ACDK5CDK5R1CDK2
SCHEMBL26882860 0.72 CYP1A2 (0.41) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL11475387 0.72 ADORA3 (0.41) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL24598576 0.66 RAB9A (0.68) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL20557489 0.66 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL15627410 0.65 XIAP (0.51) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL20557455 0.65 ALDH1A1 (0.60) MEN1KMT2ASMN1; SMN2MAPTADORA1
SCHEMBL1861156 0.65 XIAP (0.51) SMN1; SMN2TP53RAB9AADORA1ADORA3
SCHEMBL30028584 0.65 ALDH1A1 (0.60) MEN1KMT2ASMN1; SMN2MAPTADORA1
SCHEMBL8848249 0.65 KDM4E (0.59) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116898788-A Application of stem cell exosome in preparation of essence 北京伊情生物科技有限公司 2023-10-20 — — CN claimed
CN-115554199-A Spot-lightening, whitening and repairing face cream and preparation process thereof 靳治平 2023-01-03 — — CN claimed
CN-111943908-B Method for preparing isobutylamido thiazolyl resorcinol 泰州瑞仕诺医药科技有限公司 2022-07-19 — — CN claimed
CN-111943908-A Method for preparing isobutylamido thiazolyl resorcinol 泰州瑞仕诺医药科技有限公司 2020-11-17 — — CN claimed
CN-116898788-A Application of stem cell exosome in preparation of essence 北京伊情生物科技有限公司 2023-10-20 — — CN disclosed
CN-115554199-A Spot-lightening, whitening and repairing face cream and preparation process thereof 靳治平 2023-01-03 — — CN disclosed
CN-111943908-B Method for preparing isobutylamido thiazolyl resorcinol 泰州瑞仕诺医药科技有限公司 2022-07-19 — — CN disclosed
CN-114533614-A Whitening active peptide nano composition and preparation method and application thereof 武汉百思凯瑞生物科技有限公司 2022-05-27 — — CN disclosed
CN-111943908-A Method for preparing isobutylamido thiazolyl resorcinol 泰州瑞仕诺医药科技有限公司 2020-11-17 — — CN disclosed
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