SCHEMBL6108948

SCHEMBL6108948

CCCCOc1c(C(NC(=O)O)C(C)(C)C)n(Cc2ccco2)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MAPK1 P28482 3/20 0.38
USP2 O75604 3/20 0.38
PKM P14618 3/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 9/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 5/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 5/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 4/20 0.36
TP53 P04637 2/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL6111468 0.88 MAPK8 (0.38) KMT2AMAPK1ALDH1A1LMNATSHR
SCHEMBL6109839 0.83 AAK1 (0.32) ALDH1A1MAPTKDM4ENPSR1HSD17B10
SCHEMBL6109923 0.83 THRA (0.32) ALDH1A1KDM4ENPSR1POLBSMN1; SMN2
SCHEMBL6106931 0.82 RXFP1 (0.33) KMT2AALDH1A1MAPTNPSR1POLB
SCHEMBL6108262 0.82 ALDH1A1 (0.38) KMT2APKMALDH1A1CYP1A2KDM4E
SCHEMBL6107056 0.81 THRA (0.33) KMT2AALDH1A1MAPTKDM4EHSD17B10
SCHEMBL5235937 0.81 MAPT (0.42) KMT2AMAPK1USP2PKMALOX15
SCHEMBL6110442 0.81 THRA (0.33) CYP1A2KDM4EHPGDCYP2C9CYP2C19
SCHEMBL6109701 0.80 ITGB1 (0.34) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL5238814 0.80 USP2 (0.42) KMT2AMAPK1USP2PKMALOX15

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-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed