SCHEMBL18012641

SCHEMBL18012641

CCC1(CC)c2cc(/C(C)=N/O)ccc2-c2ccc(/C(C)=N/O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.45
▸ HPGD P15428 4/20 0.45
▸ HTT P42858 3/20 0.45
▸ MAPT P10636 6/20 0.43
▸ LMNA P02545 5/20 0.43
▸ GFER P55789 2/20 0.43
▸ POLB P06746 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL19186414 0.87 PDK2 (0.37) KDM4EHPGDHTTMAPTLMNA
SCHEMBL19186354 0.87 HPGD (0.41) KDM4EHPGDHTTMAPTLMNA
SCHEMBL19186584 0.86 PDK2 (0.46) KDM4EHPGDHTTMAPTLMNA
SCHEMBL18012640 0.82 HSD17B10 (0.33) HSD17B10
SCHEMBL18012644 0.81 MAPT (0.48) HTTMAPTPOLBRAB9ACA9
SCHEMBL17084358 0.81 KDM4E (0.40) KDM4EHPGDHTTMAPTLMNA
SCHEMBL18012418 0.80 SMN1; SMN2 (0.38) KDM4EHPGDHTTMAPTLMNA
SCHEMBL19186353 0.79 MAPT (0.39) KDM4EHPGDHTTMAPTLMNA
SCHEMBL18012639 0.79 NPC1 (0.52) HTTMAPTPOLBRAB9AKMT2A
SCHEMBL18012642 0.79 RAB9A (0.39) MAPTPOLBRAB9ACYP1A2KMT2A

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
WO-2016126070-A1 NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 한국화학연구원 2016-08-11 — — WO disclosed
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