SCHEMBL28183103

SCHEMBL28183103

O=C(Oc1nc[nH]n1)c1ccc(C(=O)Oc2nc[nH]n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.38
▸ SENP1 Q9P0U3 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ METAP2 P50579 1/20 0.33

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
SCHEMBL28263448 0.85 KDM4E (0.37) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL28263450 0.80 KDM4E (0.41) HSD17B10KDM4EKMT2ALMNACYP1A2
SCHEMBL28054268 0.78 CREBBP (0.44) ALDH1A1KDM4EMAPTCDK8PRSS1
SCHEMBL1687074 0.75 — —
SCHEMBL10747388 0.75 — —
SCHEMBL508592 0.71 — —
SCHEMBL28492131 0.71 XDH (0.42) HSD17B10ALDH1A1KMT2ALMNACYP2C9
SCHEMBL11667969 0.71 HIF1A (0.38) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL978667 0.68 NOS2 (0.36) —
SCHEMBL4554490 0.67 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTKMT2ALMNA

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
CN-107417712-B A kind of cadmium organic backbone complex and preparation method thereof 山西大学 2019-09-24 — — CN claimed
CN-107417712-A A kind of cadmium organic backbone complex and preparation method thereof 山西大学 2017-12-01 — — CN claimed
CN-107417712-B A kind of cadmium organic backbone complex and preparation method thereof 山西大学 2019-09-24 — — CN disclosed
CN-107417712-A A kind of cadmium organic backbone complex and preparation method thereof 山西大学 2017-12-01 — — CN disclosed
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