SCHEMBL23839235

SCHEMBL23839235

CC1CC=Cc2c1n(C)c1ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.42
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ SIGMAR1 Q99720 3/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTT P42858 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
SCHEMBL14394375 0.83 HTR2A (0.36) SIGMAR1KDM4EALOX15HTR2AHTR2C
SCHEMBL22415195 0.76 KDM4E (0.40) KDM4E
SCHEMBL21036138 0.76 ALDH1A1 (0.33) KDM4EALDH1A1
SCHEMBL14161045 0.75 GPR3 (0.44) GPR3ALKBH5FTOKDM4EHTR2A
SCHEMBL20460059 0.74 DRD1 (0.33) KDM4EMAPK1ALDH1A1MEN1HTT
SCHEMBL21131691 0.73 MAPT (0.39) KDM4EALOX15MAPK1ALDH1A1MEN1
SCHEMBL19774408 0.73 KDM4E (0.37) KDM4E
SCHEMBL23472967 0.73 KDM4E (0.37) KDM4EMEN1KMT2A
SCHEMBL19003203 0.73 KDM4E (0.37) KDM4E
SCHEMBL21388324 0.71 KDM4E (0.36) KDM4E

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
EP-3882253-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2021-09-22 — — EP disclosed
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