SCHEMBL29027271

SCHEMBL29027271

Cc1cc2nc3c4cc(Cl)ccc4n(CCSNCCN(C)C)c3nc2cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.43
HCRTR1 O43613 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
RAD52 P43351 2/20 0.38
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
CREBBP Q92793 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 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
SCHEMBL24100049 0.86 MAPT (0.49) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29364096 0.78 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16053849 0.78 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16084787 0.78 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9706260 0.76 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9706065 0.74 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24170556 0.73 POLB (0.41) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17476226 0.72 HRH4 (0.40) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9706088 0.72 MAPK1 (0.50) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24176382 0.72 POLB (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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-116323614-A Thioate derivatives of RABEXIMOD for the treatment of inflammatory and autoimmune disorders 维洛诺瓦医药公司 2023-06-23 CN claimed
CN-116323614-A Thioate derivatives of RABEXIMOD for the treatment of inflammatory and autoimmune disorders 维洛诺瓦医药公司 2023-06-23 CN disclosed
CN-116323614-A Thioate derivatives of RABEXIMOD for the treatment of inflammatory and autoimmune disorders 维洛诺瓦医药公司 2023-06-23 CN disclosed