SCHEMBL29433003

SCHEMBL29433003

CN(Cc1cnn(C)c1)C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.60
▸ RAB9A P51151 5/20 0.57
▸ NPC1 O15118 5/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ POLB P06746 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ OPRM1 P35372 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ MAPT P10636 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ TRPV1 Q8NER1 4/20 0.47
▸ KDR P35968 5/20 0.46
▸ FLT1 P17948 3/20 0.46
▸ NOTUM Q6P988 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ KLF5 Q13887 1/20 0.46

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
SCHEMBL29433014 1.00 KDM4E (0.60) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL29432985 0.80 KDM4E (0.61) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL29432961 0.80 KDM4E (0.61) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL29432939 0.79 RAB9A (0.78) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL29432950 0.77 KDM4E (0.60) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL29432980 0.77 KDM4E (0.60) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL8566715 0.76 KDM4E (1.00) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL25373077 0.74 KDM4E (0.60) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL15452593 0.74 OPRM1 (0.48) RAB9ANPC1HSD17B10LMNAOPRM1
SCHEMBL29432916 0.73 RAB9A (1.00) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10

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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