SCHEMBL21798538

SCHEMBL21798538

c1cc(-c2ccc(-c3ncc(-c4ccncc4)s3)s2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.49
HDAC4 P56524 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
KDR P35968 2/20 0.42
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PRKCI P41743 1/20 0.42
HPGDS O60760 2/20 0.41
PRF1 P14222 1/20 0.38

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
SCHEMBL31657695 0.86 HSD17B1 (0.50) LIMK1KDRHSD17B1HSD17B2CYP3A4
SCHEMBL7751921 0.81 MAPT (0.56) LIMK1HDAC4HDAC6HSD17B1HSD17B2
SCHEMBL23212803 0.79 HPGDS (0.58) HDAC4HDAC6KDRHSD17B1HSD17B2
SCHEMBL8406452 0.79 HDAC3 (0.53) LIMK1HDAC4HDAC6HSD17B1HSD17B2
SCHEMBL8724864 0.79 HDAC3 (0.53) LIMK1HDAC4HDAC6HSD17B1HSD17B2
SCHEMBL16491480 0.77 KDM4E (0.50) LIMK1KDRHSD17B1HSD17B2CYP3A4
SCHEMBL447992 0.77 HSD17B1 (0.42) LIMK1KDRHSD17B1HSD17B2CYP3A4
SCHEMBL22005612 0.77 HSD17B1 (0.64) LIMK1KDRHSD17B1HSD17B2CYP3A4
SCHEMBL2758635 0.77 KDM4E (0.50) LIMK1KDRHSD17B1HSD17B2CYP3A4
SCHEMBL26500184 0.74 HDAC3 (0.43) LIMK1HDAC4HDAC6CYP3A4CYP2C9

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
US-20200079915-A1 POLYMER GEL FILM CONTAINING LIQUID CRYSTAL DROPLETS FOR DETECTING MERCURIC IONS IN WATER AND PREPARATION METHOD THEREOF TAMKANG UNIVERSITY (TW) 2020-03-12 US claimed
US-20200079915-A1 POLYMER GEL FILM CONTAINING LIQUID CRYSTAL DROPLETS FOR DETECTING MERCURIC IONS IN WATER AND PREPARATION METHOD THEREOF TAMKANG UNIVERSITY (TW) 2020-03-12 US disclosed