SCHEMBL28693733

SCHEMBL28693733

CN(C)/C=C(\Oc1ccnc(Br)c1)C(=O)C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.36
CYP11B2 P19099 7/20 0.36
PIP5K1C O60331 4/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
MAPK8 P45983 2/20 0.32
MAPK10 P53779 2/20 0.32
MAPK14 Q16539 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PIK3CA P42336 1/20 0.31

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
SCHEMBL28410400 0.87 CYP11B1 (0.47) CYP11B1CYP11B2PIP5K1CHSD17B10KDM4E
SCHEMBL29642567 0.79 HSD17B10 (0.40) CYP11B1CYP11B2HSD17B10RAB9ASMN1; SMN2
SCHEMBL24119655 0.79 HSD17B10 (0.40) CYP11B1CYP11B2HSD17B10RAB9ASMN1; SMN2
SCHEMBL18107164 0.74 CYP11B1 (0.49) CYP11B1CYP11B2
SCHEMBL16847686 0.74 CYP11B1 (0.49) CYP11B1CYP11B2
SCHEMBL28678330 0.72 GSK3B (0.41) PIP5K1CKDM4ERAB9ASMN1; SMN2MAPK8
SCHEMBL17156153 0.70 CYP11B1 (0.49) CYP11B1CYP11B2
SCHEMBL17156152 0.70 CYP11B1 (0.49) CYP11B1CYP11B2
SCHEMBL23597417 0.68 CYP11B1 (0.35) CYP11B1CYP11B2HSD17B10KDM4ERAB9A
SCHEMBL23581411 0.68 CYP11B1 (0.35) CYP11B1CYP11B2HSD17B10KDM4ERAB9A

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-113698395-B Transforming growth factor receptor antagonist, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2023-12-08 CN disclosed
CN-113698395-A Transforming growth factor receptor antagonist, preparation method and application thereof 成都倍特药业股份有限公司 2021-11-26 CN disclosed