SCHEMBL7677330

SCHEMBL7677330

O=C1Nc2ccccc2S/C1=C\c1c[nH]c2cc(C(=O)OCCN3CCCC3)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.64
KMT2A Q03164 8/20 0.46
MITF O75030 3/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PAK1 Q13153 1/20 0.42
RAD52 P43351 3/20 0.42
PAX8 Q06710 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL6015809 0.85 KMT2A (0.64) KDRKMT2AMITFGSK3AGSK3B
SCHEMBL6015821 0.85 KMT2A (0.64) KDRKMT2AMITFGSK3AGSK3B
SCHEMBL6016074 0.80 KDR (0.55) KDRKMT2AGSK3AGSK3BALDH1A1
SCHEMBL6016071 0.80 KDR (0.55) KDRKMT2AGSK3AGSK3BALDH1A1
SCHEMBL6015657 0.79 KDR (0.73) KDRKMT2AMITFGSK3AGSK3B
SCHEMBL6015653 0.79 KDR (0.73) KDRKMT2AMITFGSK3AGSK3B
SCHEMBL6015991 0.73 KDR (0.59) KDRKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL6015983 0.73 KDR (0.59) KDRKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL1247740 0.72 HPGD (0.46) GSK3BRAB9AMAPTNPC1
SCHEMBL1247737 0.72 HPGD (0.46) GSK3BRAB9AMAPTNPC1

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
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed