SCHEMBL17967907

SCHEMBL17967907

CCSc1ccc(CN2CCC(N)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.46
▸ SPHK1 Q9NYA1 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ SLC6A4 P31645 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PTGIR P43119 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL25541644 0.82 POLB (0.58) HRH3SPHK1LTA4HACHEMEN1
SCHEMBL13293708 0.80 HRH3 (0.64) HRH3MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8099793 0.78 ALDH1A1 (0.59) HRH3LTA4HACHEMEN1KMT2A
SCHEMBL3614984 0.78 ALDH1A1 (0.59) HRH3LTA4HACHEMEN1KMT2A
SCHEMBL1021686 0.76 ALDH1A1 (0.60) HRH3LTA4HACHEMEN1KMT2A
SCHEMBL3181878 0.76 ALDH1A1 (0.63) HRH3SPHK1LTA4HACHEMEN1
SCHEMBL17967832 0.75 KDM4E (0.58) HRH3MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8804601 0.75 ALDH1A1 (0.67) HRH3SPHK1LTA4HACHEMEN1
SCHEMBL15033034 0.75 ACHE (0.55) HRH3LTA4HACHESIGMAR1
SCHEMBL8108384 0.75 BCHE (0.55) ACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016124553-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2016-08-11 — — WO disclosed
Send feedback