SCHEMBL7970314

SCHEMBL7970314

CCCCCCCCCCCCCCCCCCn1c(C(=O)OCC)nc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HTT P42858 2/20 0.58
NPSR1 Q6W5P4 3/20 0.57
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
TLR8 Q9NR97 2/20 0.56
CNR2 P34972 2/20 0.54
RECQL P46063 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 1/20 0.53
POLB P06746 3/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TP53 P04637 2/20 0.51
LMNA P02545 1/20 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
SCHEMBL4297543 0.85 KDM4E (0.56) ALDH1A1HTTNPSR1RECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL30396830 0.84 KDM4E (0.55) ALDH1A1HTTNPSR1RECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL28961226 0.84 KDM4E (0.55) ALDH1A1HTTNPSR1RECQLSMN1; SMN2
SCHEMBL28373626 0.83 TLR8 (0.64) ALDH1A1HTTNPSR1SAE1UBA2
SCHEMBL28372897 0.83 TLR8 (0.64) ALDH1A1HTTNPSR1SAE1UBA2
SCHEMBL28378368 0.83 TLR8 (0.64) ALDH1A1HTTNPSR1SAE1UBA2
SCHEMBL28283760 0.83 ALDH1A1 (0.64) ALDH1A1HTTNPSR1SAE1UBA2
SCHEMBL28378028 0.82 TLR8 (0.63) ALDH1A1HTTNPSR1SAE1UBA2
SCHEMBL9670397 0.81 KDM4E (0.57) ALDH1A1HTTNPSR1RECQLSMN1; SMN2
SCHEMBL20893365 0.80 RAB9A (0.57) ALDH1A1HTTRECQLSMN1; SMN2KDM4E

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