SCHEMBL7300903

SCHEMBL7300903

Nc1nc2cc(F)ccc2n1-c1cccc(N2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.40
C1S P09871 1/20 0.39
DHFR P00374 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
KCNH2 Q12809 1/20 0.36
AGXT P21549 1/20 0.36

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
SCHEMBL7304178 0.99 TERT (0.41) TERTC1SDHFRALDH1A1GAA
SCHEMBL1924454 0.76 ALDH1A1 (0.53) ALDH1A1GAAHTTSMN1; SMN2KCNH2
SCHEMBL7167684 0.71 NOS2 (0.53) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL255378 0.70 ALDH1A1 (0.52) C1SALDH1A1GAAHTTNPC1
SCHEMBL30167608 0.70 ALDH1A1 (0.52) C1SALDH1A1GAAHTTNPC1
SCHEMBL3159432 0.69 SMN1; SMN2 (0.50) C1SALDH1A1GAAHTTNPC1
SCHEMBL20985347 0.68 BRD4 (0.40) ALDH1A1KCNH2
SCHEMBL24529 0.68 TP53 (0.55) TERTALDH1A1SMN1; SMN2
SCHEMBL30407553 0.67 BPTF (0.51) C1SALDH1A1GAAHTTNPC1
SCHEMBL14247826 0.67 DHFR (0.46) DHFRHTTNPC1RAB9ASMN1; SMN2

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
EP-0520200-B1 Imidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1998-02-18 EP disclosed
EP-0520200-A2 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1992-12-30 EP disclosed