SCHEMBL25963666

SCHEMBL25963666

C=C1Cc2ccccc2N(C)C(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.47
▸ CES1 P23141 1/20 0.47
▸ NR1H3 Q13133 9/20 0.46
▸ NR1H2 P55055 7/20 0.46
▸ CASP3 P42574 2/20 0.44
▸ CASP6 P55212 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ MTOR P42345 1/20 0.39

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
SCHEMBL26458457 0.87 TTR (0.51) TTRCES1NR1H3NR1H2CASP3
SCHEMBL14288783 0.83 TTR (0.53) TTRCES1NR1H3NR1H2CASP3
SCHEMBL12059599 0.76 NR1H2 (0.59) TTRCES1NR1H3NR1H2CASP3
SCHEMBL27019601 0.75 CES1 (0.47) TTRCES1NR1H3NR1H2CASP3
SCHEMBL27292538 0.73 KMT2A (0.36) CASP3CASP6KMT2ASENP8SENP7
SCHEMBL5502340 0.73 CES1 (0.69) TTRCES1CASP3CASP6KMT2A
SCHEMBL10262744 0.73 CASP3 (0.59) TTRCES1NR1H3NR1H2CASP3
SCHEMBL26223177 0.73 TTR (0.58) TTRCES1NR1H3NR1H2CASP3
SCHEMBL9918978 0.73 RNASEH1 (0.49) TTRCES1CASP3CASP6KMT2A
SCHEMBL7829086 0.73 ALDH1A1 (0.57) TTRCES1CASP3CASP6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141856-A1 CD3-TARGETING MULTISPECIFIC ANTIBODY AND USE THEREOF 岩唐生物科技(杭州)有限责任公司 2023-08-03 — — WO disclosed
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