SCHEMBL8400205

SCHEMBL8400205

CCCOC(=O)CCC(=O)N(CC#N)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.36
EGFR P00533 1/20 0.36
ERBB3 P21860 1/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLQ O75417 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33

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
SCHEMBL8395141 0.92 SMN1; SMN2 (0.52) SMN1; SMN2MAPTEGFRERBB3LMNA
SCHEMBL8396315 0.88 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL8399213 0.87 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ATP53KDM4E
SCHEMBL8399265 0.87 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1KMT2ALTB4R2
SCHEMBL8395385 0.87 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNATSHRALDH1A1
SCHEMBL8399172 0.87 LTB4R2 (0.45) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL8399091 0.86 SMN1; SMN2 (0.44) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL8399042 0.86 SMN1; SMN2 (0.39) SMN1; SMN2TSHRALDH1A1HPGDMEN1
SCHEMBL8396409 0.86 SMN1; SMN2 (0.59) SMN1; SMN2LMNATSHRALDH1A1MEN1
SCHEMBL8396222 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed