SCHEMBL9524630

SCHEMBL9524630

O=C(Nc1ccccc1)c1nnc2ccc([N+](=O)[O-])cc2c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 6/20 0.51
LMNA P02545 3/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
PPARG P37231 1/20 0.51
THPO P40225 1/20 0.51
MTOR P42345 1/20 0.51
RORC P51449 1/20 0.51
PMP22 Q01453 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL9527318 0.85 MEN1 (0.53) MEN1KMT2AMAPTLMNATP53
SCHEMBL9524822 0.85 HIF1A (0.60) MEN1KMT2AMAPTLMNAPKM
SCHEMBL9524941 0.84 ALDH1A1 (0.56) MEN1KMT2AMAPTLMNATP53
SCHEMBL9523815 0.83 P2RX1 (0.59) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL9525598 0.83 KMT2A (0.49) MEN1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL9525577 0.80 ADORA3 (0.49) KMT2AMAPTLMNAELANENPC1
SCHEMBL9525587 0.80 ADORA3 (0.47) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL9524293 0.80 TP53 (0.46) MEN1KMT2ATP53SMN1; SMN2ELANE
SCHEMBL9524344 0.80 TMPRSS4 (0.51) MEN1KMT2APKMELANENPC1
SCHEMBL9524877 0.79 ADORA3 (0.56) MEN1KMT2AMAPTLMNATP53

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