SCHEMBL29432991

SCHEMBL29432991

CCN(Cc1ccc(Cl)s1)C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.70
▸ POLB P06746 3/20 0.70
▸ LMNA P02545 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ HSD17B10 Q99714 1/20 0.70
▸ KDM4E B2RXH2 3/20 0.55
▸ NPC1 O15118 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TRPV1 Q8NER1 8/20 0.46
▸ KDR P35968 4/20 0.46
▸ MAPT P10636 1/20 0.45
▸ NOTUM Q6P988 1/20 0.44
▸ MITF O75030 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ KLF5 Q13887 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TMPRSS4 Q9NRS4 1/20 0.43

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
SCHEMBL29433004 1.00 RAB9A (0.70) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL29432916 0.83 RAB9A (1.00) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL29432912 0.83 RAB9A (1.00) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL29432939 0.75 RAB9A (0.78) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL8566715 0.72 KDM4E (1.00) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL4938762 0.72 RAB9A (0.68) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL29432923 0.71 RAB9A (0.71) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL9670295 0.70 RAB9A (0.62) RAB9APOLBLMNATSHRHSD17B10
Propionic Acid SCHEMBL9670302 0.68 HDAC1 (0.64) RAB9APOLBLMNATSHRHSD17B10
SCHEMBL14461305 0.68 HDAC1 (0.72) RAB9APOLBLMNATSHRHSD17B10

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-2022058327-A1 SUBSTITUTED UREAS AND DERIVATIVES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-03-24 — — WO disclosed
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