SCHEMBL11757415

SCHEMBL11757415

COC(=O)n1nc2cccc(Cl)c2c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.40
▸ NR4A2 P43354 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL11754921 0.86 ALDH1A1 (0.45) KMT2ASMN1; SMN2ALDH1A1MAPK1TP53
SCHEMBL11752156 0.77 F2 (0.40) F2NR4A2ADORA2AADORA1KMT2A
SCHEMBL11751236 0.67 KDM4E (0.40) ADORA1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL11752345 0.66 MAP3K14 (0.40) KMT2ASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8682362 0.65 KMT2A (0.43) F2KMT2ASMN1; SMN2POLBMAPT
SCHEMBL11752453 0.65 ALDH1A1 (0.46) KMT2ASMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL11779970 0.63 IRAK4 (0.41) KMT2AHSD17B10
SCHEMBL8538654 0.63 PRMT5 (0.37) MAOBPRMT5KMT2AALDH1A1CCR4
SCHEMBL21497068 0.62 MEN1 (0.51) KMT2ANPC1MAPTPKMRAB9A
SCHEMBL11752876 0.62 TSHR (0.47) F2KMT2ASMN1; SMN2POLBNPC1

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
US-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
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