SCHEMBL24754282

SCHEMBL24754282

CCCC/C=N/CCCCCC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
THRB P10828 2/20 0.40
NAAA Q02083 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DNM1 Q05193 4/20 0.38
ALDH1A1 P00352 3/20 0.36
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL18489537 1.00 TSHR (0.40) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL21757397 1.00 TSHR (0.40) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL28270480 0.98 TSHR (0.38) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL9869391 0.97 TSHR (0.38) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL2887421 0.95 TSHR (0.44) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL24183668 0.95 TSHR (0.44) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL11760319 0.95 TSHR (0.44) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL11760325 0.95 TSHR (0.44) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL11760910 0.95 TSHR (0.44) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL24864672 0.95 TSHR (0.44) TSHRTHRBNAAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022262516-A1 LINKER AND CONJUGATE THEREFOR 北京海步医药科技有限公司 2022-12-22 WO disclosed
CN-107250172-A Modified conjugated diene polymer and its manufacture method and modified conjugated diene polymer composition 旭化成株式会社 2017-10-13 CN disclosed
CN-103764683-B The manufacture method of modified conjugated diene polymer, modified conjugated diene polymer, modified conjugated diene polymer composition, rubber combination and tire ASAHI KASEI CHEMICALS CORP. (JP) 2016-01-20 CN disclosed
CN-103764683-A Method for producing modified conjugated diene polymer, modified conjugated diene polymer, modified conjugated diene polymer composition, rubber composition, and tire ASAHI KASEI CHEMICALS CORP 2014-04-30 CN disclosed