SCHEMBL7972141

SCHEMBL7972141

CCCCCCCCCCCCCCCCCc1nc2cc(C(=O)NC)ccc2n1CCCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.58
HDAC8 Q9BY41 5/20 0.58
HDAC3 O15379 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
CNR2 P34972 3/20 0.51
CNR1 P21554 2/20 0.50
PTGER4 P35408 1/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL7960641 1.00 HDAC1 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC6
Hydrochloric Acid SCHEMBL7973889 0.99 HDAC1 (0.57) HDAC1HDAC8HDAC3HDAC2HDAC6
Hydrochloric Acid SCHEMBL7976759 0.99 HDAC1 (0.57) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL7972126 0.95 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL7960333 0.95 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC2HDAC6
Hydrochloric Acid SCHEMBL7974174 0.94 HDAC1 (0.62) HDAC1HDAC8HDAC3HDAC2HDAC6
Hydrochloric Acid SCHEMBL7972223 0.94 HDAC1 (0.62) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL7960461 0.89 HDAC1 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL7973726 0.89 HDAC1 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL7960456 0.88 HDAC1 (0.57) HDAC1HDAC8HDAC3HDAC2HDAC6

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-6204264-B1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO., LTD. (JP) 2001-03-20 US disclosed
EP-0989123-A1 Benzimidazole derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 2000-03-29 EP disclosed