SCHEMBL11171569

SCHEMBL11171569

Cc1cccc(NCC(C)Br)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.46
▸ GAA P10253 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ RAPGEF4 Q8WZA2 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37

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
SCHEMBL11174233 0.81 MAPT (0.50) MAPTGAATP53MAPK1HSD17B10
SCHEMBL11169978 0.80 MAPT (0.45) MAPTGAATP53MAPK1HSD17B10
SCHEMBL11169204 0.79 MAPT (0.34) MAPTGAAMAPK1ALDH1A1KMT2A
SCHEMBL11169745 0.77 MAPT (0.43) MAPTGAATP53MAPK1HSD17B10
SCHEMBL11170519 0.76 MAPT (0.67) MAPTGAATP53MAPK1HSD17B10
SCHEMBL29690676 0.75 MAPT (0.44) MAPTGAATP53MAPK1HSD17B10
SCHEMBL10601266 0.75 MAPT (0.47) MAPTGAATP53MAPK1HSD17B10
SCHEMBL1122539 0.74 MAPT (0.53) MAPTGAATP53MAPK1HSD17B10
SCHEMBL7850850 0.74 GAA (0.43) MAPTGAATP53MAPK1HSD17B10
SCHEMBL18684664 0.72 MAPT (0.56) MAPTGAATP53MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4369325-A ANTIPHLOGISTIC AND DIURETIC ACTIVITY EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-01-18 — — US disclosed
US-4284642-A DIURETICS, ANTIPHLOGISTICS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1981-08-18 — — US disclosed
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