SCHEMBL8102371

SCHEMBL8102371

[c]1cc(-c2ccccn2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
METAP1 P53582 6/20 0.50
LMNA P02545 5/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
CYP1A2 P05177 2/20 0.50
HIF1A Q16665 2/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 5/20 0.48
HTT P42858 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALOX15 P16050 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALPL P05186 1/20 0.48
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL4875167 0.87 MAPT (0.46) KDM4ELMNAHIF1APOLBSMN1; SMN2
SCHEMBL8090146 0.84 ALDH1A1 (0.38) KDM4EMETAP1LMNACCR1CCR5
SCHEMBL8094325 0.81 METAP2 (0.45) KDM4EMETAP1SMN1; SMN2HTTL3MBTL1
Phenazine SCHEMBL25380403 0.78 KDM4E (0.74) KDM4EMETAP1LMNACCR1CCR5
SCHEMBL4875157 0.76 RAB9A (0.46) KDM4ELMNACYP1A2BLMSMN1; SMN2
SCHEMBL234452 0.76 ACHE (0.47) KDM4ELMNASMN1; SMN2L3MBTL1TDP1
SCHEMBL8087264 0.75 CYP2C9 (0.53) KDM4ELMNACYP1A2POLBALOX15
SCHEMBL8087257 0.75 CYP1A2 (0.46) KDM4ECYP1A2SMN1; SMN2TP53MAPK1
SCHEMBL28451240 0.74 KDM4E (0.70) KDM4EMETAP1LMNACCR1CCR5
SCHEMBL321429 0.71 METAP1 (0.58) KDM4EMETAP1LMNACCR1CCR5

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
US-6063956-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED ROHM AND HAAS COMPANY (US) 2000-05-16 US disclosed