SCHEMBL7960632

SCHEMBL7960632

CCCCCCCCCCCCCCCCCc1nc2cc(C(N)=O)ccc2n1CCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.61
JAK1 P23458 4/20 0.61
TYK2 P29597 4/20 0.61
JAK3 P52333 4/20 0.61
HDAC1 Q13547 10/20 0.57
HDAC8 Q9BY41 4/20 0.57
HDAC3 O15379 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CNR2 P34972 2/20 0.51

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
SCHEMBL7973726 0.91 HDAC1 (0.58) JAK2JAK1TYK2JAK3HDAC1
SCHEMBL7960461 0.91 HDAC1 (0.58) JAK2JAK1TYK2JAK3HDAC1
SCHEMBL7960456 0.90 HDAC1 (0.57) JAK2JAK1TYK2JAK3HDAC1
Hydrochloric Acid SCHEMBL8213913 0.90 HDAC1 (0.57) JAK2JAK1TYK2JAK3HDAC1
SCHEMBL7970417 0.90 HDAC1 (0.57) JAK2JAK1TYK2JAK3HDAC1
Hydrochloric Acid SCHEMBL7974000 0.89 HDAC1 (0.56) JAK2JAK1TYK2JAK3HDAC1
Hydrochloric Acid SCHEMBL7960322 0.89 HDAC1 (0.56) JAK2JAK1TYK2JAK3HDAC1
SCHEMBL7960641 0.88 HDAC1 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL7972141 0.88 HDAC1 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC6
Hydrochloric Acid SCHEMBL7976759 0.87 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