SCHEMBL30853475

SCHEMBL30853475

Cc1cccnc1C(=O)NC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
RIPK1 Q13546 2/20 0.44
ANO1 Q5XXA6 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KIT P10721 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
SSTR4 P31391 1/20 0.41
GRM5 P41594 1/20 0.41
FDPS P14324 1/20 0.41
DYRK1A Q13627 1/20 0.40
P2RX7 Q99572 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL4605525 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RIPK1ANO1KMT2AL3MBTL1
Ether SCHEMBL26646426 0.90 BRD4 (0.43) SMN1; SMN2RIPK1ANO1KDM4ESSTR4
SCHEMBL13962868 0.84 CNR2 (0.46) KMT2ASSTR4P2RX7NPC1RAB9A
SCHEMBL6415070 0.81 SMN1; SMN2 (0.47) SMN1; SMN2RIPK1ANO1KMT2ATRPV1
SCHEMBL22832228 0.81 SMN1; SMN2 (0.47) SMN1; SMN2RIPK1ANO1L3MBTL1KDM4E
SCHEMBL6417499 0.81 ANO1 (0.47) SMN1; SMN2RIPK1ANO1KITTRPV1
SCHEMBL30695551 0.80 PLK1 (0.46) SMN1; SMN2KMT2AL3MBTL1KDM4EKIT
SCHEMBL7045677 0.80 HDAC1 (0.46) SMN1; SMN2KMT2AL3MBTL1KDM4EKIT
SCHEMBL8568914 0.80 PLK1 (0.46) SMN1; SMN2KMT2AL3MBTL1KDM4EKIT
SCHEMBL31426964 0.79 ANO1 (0.40) SMN1; SMN2RIPK1ANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119156382-A Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2024-12-17 CN disclosed
CN-115397822-B CBP/EP300 inhibitors and uses thereof 南京药石科技股份有限公司 2024-04-16 CN disclosed