SCHEMBL9525883

SCHEMBL9525883

CC1CCCC(NC(=O)c2nnc3ccccc3c2O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
GRM5 P41594 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
HTR3A P46098 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
SLC22A2 O15244 1/20 0.41
HTR3B O95264 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL9527969 0.86 RAB9A (0.54) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL9525688 0.85 KAT2B (0.55) RAB9ANPC1KMT2AALDH1A1KAT2B
SCHEMBL9524896 0.85 HIF1A (0.55) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL9523856 0.85 HIF1A (0.55) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL23839838 0.73 GRM5 (0.62) RAB9ANPC1GRM5KMT2AMEN1
SCHEMBL9294911 0.73 GRM5 (0.62) RAB9ANPC1GRM5KMT2AMEN1
SCHEMBL6085889 0.71 GRM5 (0.52) RAB9ANPC1GRM5ALDH1A1HTT
SCHEMBL9524962 0.71 CACNA1B (0.51) RAB9ANPC1KAT2B
SCHEMBL517369 0.71 CA12 (0.64) RAB9ANPC1GRM5KMT2ACYP1A2
SCHEMBL19921344 0.70 GRM5 (0.48) GRM5ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP disclosed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US disclosed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP disclosed