SCHEMBL11215078

SCHEMBL11215078

N#CCCN(CCOc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 1/20 0.42
KCNA3 P22001 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ESR1 P03372 2/20 0.41
ESRRG P62508 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
RECQL P46063 1/20 0.39
PPARG P37231 1/20 0.39
NCF1 P14598 1/20 0.39

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
SCHEMBL11209610 0.90 DRD2 (0.42) ALDH1A1LMNAGLAHTTSMN1; SMN2
SCHEMBL11422634 0.86 ALDH1A1 (0.44) ALDH1A1LMNAGLAHTTSMN1; SMN2
SCHEMBL10526844 0.86 KCNA3 (0.56) ALDH1A1HTTSMN1; SMN2LTA4HKCNA3
SCHEMBL11678792 0.85 ALDH1A1 (0.44) ALDH1A1LMNAGLAHTTSMN1; SMN2
SCHEMBL10769048 0.85 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2USP2
SCHEMBL2323987 0.84 USP2 (0.53) ALDH1A1LMNAHTTSMN1; SMN2KCNA3
SCHEMBL2822227 0.82 HSD17B10 (0.43) ALDH1A1LMNAUSP2HSD17B10KDM4E
SCHEMBL10392197 0.82 USP2 (0.43) ALDH1A1LMNAUSP2HSD17B10KDM4E
SCHEMBL15227090 0.81 LTA4H (0.42) ALDH1A1LMNAGLAHTTSMN1; SMN2
SCHEMBL11209758 0.80 BCHE (0.48) LMNAHTTSMN1; SMN2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57083556-A None JP disclosed
JP-55075449-A None JP disclosed
JP-S5783556-A MONOAZO DYE FOR SYNTHETIC FIBER MITSUBISHI CHEM IND LTD 1982-05-25 JP disclosed
JP-S5575449-A BLACK DYE COMPOSITION AND DYEING OF POLYESTER FIBER BY APPLYING THE SAME SUMITOMO CHEM CO LTD 1980-06-06 JP disclosed
US-4051084-A BENZOTHIAZOLE BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-3935183-A WATER INSOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES LIMITED (EN) 1976-01-27 US disclosed