SCHEMBL11622307

SCHEMBL11622307

O=C(O)c1nc2nc3ccccc3nc2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ PABPC1 P11940 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TOP2A P11388 1/20 0.38
▸ TOP2B Q02880 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL11619959 0.81 TNKS2 (0.37) ALDH1A1HSD17B10KDM4ECYP1A2CYP2C19
SCHEMBL11549367 0.77 TOP2A (0.50) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL4936991 0.76 TOP2A (0.58) ALDH1A1KDM4EMAPTTOP2ATOP2B
SCHEMBL29965486 0.76 TOP2A (0.58) ALDH1A1KDM4EMAPTTOP2ATOP2B
SCHEMBL11546703 0.72 TNKS2 (0.46) ALDH1A1KDM4ETDP1MAPTTOP2A
SCHEMBL11667578 0.69 HCAR2 (0.56) KDM4EPARP1LMNAMEN1KMT2A
SCHEMBL160155 0.68 AURKA (0.61) ALDH1A1HSD17B10KDM4ERAB9AMAPT
SCHEMBL29414293 0.68 AURKA (0.61) ALDH1A1HSD17B10KDM4ERAB9AMAPT
SCHEMBL4097753 0.68 KDM4E (0.43) ALDH1A1HSD17B10KDM4ECYP1A2CYP2C19
SCHEMBL11548593 0.68 KDM4E (0.59) ALDH1A1HSD17B10KDM4ECYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4128646-A ANTIALLERGEN MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1978-12-05 — — US claimed
US-4128646-A ANTIALLERGEN MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1978-12-05 — — US disclosed
US-4128646-A ANTIALLERGEN MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1978-12-05 — — US disclosed
US-4128646-A ANTIALLERGEN MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1978-12-05 — — US disclosed
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