SCHEMBL7970539

SCHEMBL7970539

CCCCCCCCCCCCCCCCCc1nc2ccccc2n1CCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.56
TP53 P04637 1/20 0.55
AGTR1 P30556 1/20 0.55
AGTR2 P50052 1/20 0.55

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
SCHEMBL7972073 1.00 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL7972146 0.99 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL7973888 0.99 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7960637 0.94 LMNA (0.57) LMNAMAPTTP53AGTR1AGTR2
SCHEMBL7960627 0.94 LMNA (0.57) LMNAMAPTTP53AGTR1AGTR2
SCHEMBL7960503 0.94 LMNA (0.57) LMNAMAPTTP53AGTR1AGTR2
SCHEMBL7973675 0.94 LMNA (0.57) LMNAMAPTTP53AGTR1AGTR2
SCHEMBL7960449 0.94 LMNA (0.57) LMNAMAPTTP53AGTR1AGTR2
Hydrochloric Acid SCHEMBL7973802 0.92 LMNA (0.56) LMNAMAPTTP53AGTR1AGTR2
Hydrochloric Acid SCHEMBL7970449 0.92 LMNA (0.56) LMNAMAPTTP53AGTR1AGTR2

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