SCHEMBL3366931

SCHEMBL3366931

NNc1ncccc1C(=O)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DHODH Q02127 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MPO P05164 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2A6 P11509 1/20 0.44
PRKCI P41743 1/20 0.44
P2RX7 Q99572 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LTA4H P09960 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL8191419 0.80 KDM4E (0.50) MEN1KMT2ADHODHKDM4EALDH1A1
SCHEMBL16474314 0.79 KMT2A (0.49) MEN1KMT2ADHODHPRKCIP2RX7
SCHEMBL23458501 0.78 PRKCI (0.59) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL31584327 0.78 DHODH (0.64) MEN1KMT2ADHODHKDM4ECYP3A4
SCHEMBL662027 0.78 ALDH1A1 (0.61) MEN1KMT2ADHODHKDM4EP2RX7
SCHEMBL188820 0.78 DHODH (0.64) MEN1KMT2ADHODHKDM4ECYP3A4
SCHEMBL9142184 0.76 ALDH1A1 (0.59) MEN1KMT2ADHODHKDM4EP2RX7
Hydrochloric Acid SCHEMBL7084810 0.76 ALDH1A1 (0.59) MEN1KMT2ADHODHKDM4EP2RX7
Hydrochloric Acid SCHEMBL23388066 0.76 DHODH (0.62) MEN1KMT2ADHODHKDM4ECYP3A4
SCHEMBL10373110 0.76 MAPT (0.47) MEN1KMT2ADHODHPRKCIALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204642-B1 FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-10-13 EP disclosed
US-5126358-A Prevention of diseases caused by fungi, bacteria, viruses CIBA-GEIGY CORPORATION (US) 1992-06-30 US disclosed
US-5126358-A Prevention of diseases caused by fungi, bacteria, viruses CIBA-GEIGY CORPORATION (US) 1992-06-30 US disclosed
US-5015649-A Fungicides, bactericides or viricides dichloroisonicotinoylhydrazine derivatives of pyridine CIBA-GEIGY CORPORATION (US) 1991-05-14 US disclosed
US-5015649-A Fungicides, bactericides or viricides dichloroisonicotinoylhydrazine derivatives of pyridine CIBA-GEIGY CORPORATION (US) 1991-05-14 US disclosed
EP-0288976-A2 Protecting agent for plant diseases CIBA-GEIGY AG (CH) 1988-11-02 EP disclosed