SCHEMBL9831007

SCHEMBL9831007

COC(=O)Oc1ccnn1-c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 2/20 0.46
NR3C2 P08235 2/20 0.42
KDM5A P29375 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.40
NPBWR1 P48145 4/20 0.40
MCHR1 Q99705 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C18 P33260 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 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
SCHEMBL28575271 0.83 NR3C2 (0.46) ALDH1A1KMT2ANR3C2KDM5AKDM2B
SCHEMBL9683620 0.76 TDP1 (0.46) ALDH1A1KMT2ANR3C2RAB9ASMN1; SMN2
SCHEMBL9833146 0.73 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL18256262 0.72 NPBWR1 (0.45) ALDH1A1KMT2AKDM5AKDM2BKDM4C
SCHEMBL1013106 0.71 CYP2C9 (0.54) ALDH1A1NR3C2RAB9ASMN1; SMN2NPC1
SCHEMBL18256245 0.70 KDM5A (0.49) ALDH1A1KMT2AKDM5AKDM2BKDM4C
SCHEMBL3417583 0.69 POLB (0.50) KMT2ANR3C2KDM5AKDM4CKDM5B
SCHEMBL26983243 0.69 POLB (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1NPSR1
SCHEMBL23401516 0.69 ALDH1A1 (0.44) ALDH1A1KMT2ANR3C2RAB9ASMN1; SMN2
SCHEMBL1598492 0.68 LMNA (0.61) ALDH1A1KMT2ARAB9ANPC1CYP2C9

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
EP-0269806-B1 PHENYLPYRAZOLE CARBONIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS PLANT GROWTH REGULATORS AND ANTIDOTES HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-27 EP disclosed
EP-0269806-A1 Phenylpyrazole carbonic acid derivatives, their preparation and use as plant growth regulators and antidotes HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-08 EP disclosed