SCHEMBL9524896

SCHEMBL9524896

O=C(NC1CCCCCC1)c1nnc2ccccc2c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.55
RAB9A P51151 8/20 0.53
NPC1 O15118 6/20 0.53
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 2/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
POLB P06746 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
EPHX1 P07099 1/20 0.50
HPGD P15428 1/20 0.50
RXFP1 Q9HBX9 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL9523856 1.00 HIF1A (0.55) HIF1ARAB9ANPC1ALDH1A1KMT2A
SCHEMBL9527969 0.99 RAB9A (0.54) HIF1ARAB9ANPC1ALDH1A1KMT2A
SCHEMBL9525688 0.87 KAT2B (0.55) RAB9ANPC1ALDH1A1KMT2AGAA
SCHEMBL9525883 0.85 RAB9A (0.42) HIF1ARAB9ANPC1ALDH1A1KMT2A
SCHEMBL9524789 0.78 RAB9A (0.53) RAB9AALDH1A1KMT2AGAAEPHX1
SCHEMBL27990102 0.78 RAB9A (0.46) HIF1ARAB9ANPC1ALDH1A1KMT2A
SCHEMBL27990104 0.78 RAB9A (0.46) HIF1ARAB9ANPC1ALDH1A1KMT2A
SCHEMBL9524962 0.74 CACNA1B (0.51) RAB9ANPC1
SCHEMBL9523939 0.74 HPGD (0.48) RAB9ANPC1ALDH1A1KMT2AHTT
SCHEMBL9525554 0.74 KDM4E (0.54) ALDH1A1KMT2AMEN1CYP1A2CYP2D6

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