SCHEMBL11454039

SCHEMBL11454039

Cc1nn(C(C)c2ccc3c(c2)CCCC3)c(OC(=O)c2ccc(Cl)cc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ MAPT P10636 5/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TP53 P04637 4/20 0.37
▸ GCGR P47871 3/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.34
▸ GAA P10253 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ UTS2R Q9UKP6 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL11452722 0.93 MAPT (0.43) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL11471740 0.91 KMT2A (0.45) KMT2AMEN1MAPTKDM4ENPSR1
SCHEMBL11465214 0.90 KMT2A (0.40) KMT2AMEN1MAPTNPSR1TP53
SCHEMBL11454111 0.89 CYP1A2 (0.36) KMT2AMEN1MAPTNPSR1GCGR
SCHEMBL11465090 0.86 MAP3K14 (0.41) KMT2AMEN1MAPTTP53GCGR
SCHEMBL11471800 0.86 CYP1A2 (0.40) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL11461089 0.81 MAPT (0.45) KMT2AMEN1MAPTGCGRCYP1A2
SCHEMBL11507909 0.80 S1PR1 (0.38) KMT2AMEN1MAPTTP53GCGR
SCHEMBL11452751 0.79 MAP3K14 (0.40) KMT2AMEN1MAPTGCGRCYP1A2
SCHEMBL11454000 0.78 GCGR (0.42) KMT2AMEN1MAPTNPSR1TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4207325-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE AND ANTITHROMBOTIC PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1980-06-10 — — US disclosed
US-4113872-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE, ANTITHROMBOTIC AGENTS BAKER AKTIENGESELLSHAFT (DE) 1978-09-12 — — US disclosed
US-4112109-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
US-4099011-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-07-04 — — US disclosed
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