SCHEMBL19815097

SCHEMBL19815097

CCCCCCN1/C(=C/c2c(OCCCC)c(=O)c2=O)C(C)(C)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDC25A P30304 5/20 0.39
CES1 P23141 2/20 0.39
OPRL1 P41146 1/20 0.39
SCN9A Q15858 4/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 2/20 0.37
ALDH2 P05091 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
SCHEMBL21314805 1.00 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL5009155 0.92 ALDH1A1 (0.38) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL13103144 0.91 ALDH1A1 (0.38) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL7745679 0.90 ALDH1A1 (0.46) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL7750488 0.90 ALDH1A1 (0.46) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL16328778 0.90 KMT2A (0.39) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL19815786 0.89 MAPT (0.48) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL5515255 0.89 MAPT (0.48) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL29737508 0.88 OPRL1 (0.38) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL17627888 0.87 ALDH1A1 (0.40) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377562-B2 Squaraine dyes and applications thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-07-05 US claimed
US-20190270889-A1 SQUARAINE DYES AND APPLICATIONS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-09-05 US claimed
US-11377562-B2 Squaraine dyes and applications thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-07-05 US disclosed
US-20190270889-A1 SQUARAINE DYES AND APPLICATIONS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-09-05 US disclosed
WO-2018020518-A1 SQUARAINE DYES AND APPLICATIONS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-02-01 WO disclosed