SCHEMBL6267233

SCHEMBL6267233

CC(=O)Nc1ccc(C2(C)NN=C(c3ccccc3)S2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.44
▸ MAPT P10636 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NAPRT Q6XQN6 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CACNA1B Q00975 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
SCHEMBL6265246 0.81 ADAMTS5 (0.42) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL6276393 0.81 ADAMTS5 (0.44) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL12010977 0.75 ADAMTS5 (0.49) MAPTALDH1A1KDM4ENPSR1NPC1
SCHEMBL6275809 0.70 RAF1 (0.37) KMT2AMAPTALDH1A1MEN1HPGD
SCHEMBL6272309 0.69 ADAMTS5 (0.38) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL6272380 0.69 ADAMTS5 (0.46) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL171741 0.69 L3MBTL1 (0.83) KMT2AMAPTALDH1A1MEN1KDM4E
Biphenyl SCHEMBL9009636 0.67 NAPRT (0.86) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL6266093 0.66 ADAMTS5 (0.40) KMT2AMAPTALDH1A1MEN1KDM4E
Acetanilide SCHEMBL24681 0.65 NAPRT (1.00) KMT2AMAPTALDH1A1MEN1NAPRT

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-2005092304-A2 ANTIFUNGAL AGENTS F2G LTD (GB) 2005-10-06 — — WO claimed
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