SCHEMBL9697129

SCHEMBL9697129

CNCCn1c(NC)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
TDP1 Q9NUW8 3/20 0.57
MAPT P10636 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TP53 P04637 3/20 0.57
HTT P42858 3/20 0.57
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALOX15 P16050 1/20 0.57
ALDH1A1 P00352 1/20 0.52
ALOX12 P18054 1/20 0.52
TSHR P16473 3/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL1520208 0.84 KDM4E (0.57) KDM4ETDP1MAPTMEN1KMT2A
SCHEMBL9753404 0.83 GAA (0.47) KDM4ETDP1MAPTMEN1KMT2A
SCHEMBL16373734 0.82 PKM (0.57) MAPTTP53HTTLMNAALDH1A1
SCHEMBL5461912 0.81 POLB (0.69) KMT2ATP53HTTPOLB
SCHEMBL21776305 0.78 TP53 (0.47) KDM4ETDP1MAPTMEN1KMT2A
SCHEMBL27926418 0.77 CYP1A2 (0.68) KDM4EMAPTMEN1KMT2ATP53
SCHEMBL10670593 0.77 LMNA (0.66) MAPTMEN1KMT2ATP53HTT
SCHEMBL7850067 0.77 RAB9A (0.62) KDM4ETDP1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL28745357 0.76 CYP1A2 (0.66) KDM4EMAPTMEN1KMT2ATP53
SCHEMBL28890678 0.76 KDM4E (0.56) KDM4ETDP1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149700-A Antiarrhythmic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed
WO-1991018904-A1 SUBSTITUTED ARYLSULFONAMIDES AND BENZAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-12 WO disclosed