SCHEMBL11292526

SCHEMBL11292526

CC(C)(C)C(=O)Cc1noc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC6 Q9UBN7 3/20 0.50
FFAR1 O14842 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
SMPD1 P17405 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
PPARD Q03181 1/20 0.46
NR1H4 Q96RI1 2/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL14736624 0.80 NOTUM (0.63) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3614850 0.78 NOTUM (0.56) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10103644 0.76 NOTUM (0.62) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL27628551 0.75 NOTUM (0.60) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL91656 0.74 SMN1; SMN2 (0.70) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4865554 0.74 NOTUM (0.68) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4865565 0.74 NOTUM (1.00) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15058774 0.74 FFAR1 (0.66) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14122701 0.74 NOTUM (0.63) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16284866 0.74 NPC1 (0.65) NOTUMNPC1RAB9ASMN1; SMN2KDM4E

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
EP-0061882-A1 Process for preparing isoxazol-3-ylcarboxamides ELI LILLY AND COMPANY (US) 1982-10-06 EP disclosed