SCHEMBL6554137

SCHEMBL6554137

N#CCCN(CCC#N)c1cc[c]cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ALDH1A1 P00352 6/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 2/20 0.35
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MLYCD O95822 1/20 0.31
TDP2 O95551 1/20 0.30

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
SCHEMBL11329200 0.90 CRHR1 (0.39) TSHRALDH1A1USP2HSD17B10MAPK1
SCHEMBL6555095 0.90 TSHR (0.37) TSHRALDH1A1USP2HSD17B10MAPK1
SCHEMBL6555894 0.89 ALDH1A1 (0.37) TSHRALDH1A1USP2HSD17B10MAPK1
SCHEMBL6555127 0.88 ALDH1A1 (0.38) TSHRALDH1A1USP2HSD17B10MAPK1
SCHEMBL6553722 0.87 CRHR1 (0.41) TSHRALDH1A1MAPK1HPGDHTT
SCHEMBL7602428 0.82 TSHR (0.40) TSHRALDH1A1USP2HSD17B10MAPK1
SCHEMBL2323987 0.82 USP2 (0.53) TSHRALDH1A1USP2HSD17B10HTT
SCHEMBL20207415 0.82 TSHR (0.40) TSHRALDH1A1USP2HSD17B10MAPK1
SCHEMBL6555348 0.82 POLB (0.48) TSHRALDH1A1USP2HSD17B10POLB
SCHEMBL2037646 0.78 ALDH1A1 (0.43) TSHRALDH1A1USP2HSD17B10MAPK1

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
EP-1234007-B1 OLIGOMERIC METHINE DYES CLARIANT FINANCE BVI LTD (VG) 2004-02-18 EP disclosed
EP-1234007-A1 OLIGOMERIC METHINE DYES Clariant Finance (BVI) Limited (VG) 2002-08-28 EP disclosed
WO-2001036543-A1 OLIGOMERIC METHINE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 2001-05-25 WO disclosed
EP-0304613-B1 BENZOPYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
US-4958021-A PRESSURE AND HEAT SENSITIVE RECORDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1990-09-18 US disclosed
EP-0304613-A1 Benzopyran derivatives BASF Aktiengesellschaft (DE) 1989-03-01 EP disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed