SCHEMBL11683265

SCHEMBL11683265

CC(C)n1nc(-c2ccc(Cl)cc2)c2cc3ccccc3cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ PDE1A P54750 1/20 0.42
▸ PDE1B Q01064 1/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ SRC P12931 3/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CMKLR1 Q99788 1/20 0.39
▸ MERTK Q12866 1/20 0.38
▸ GAA P10253 2/20 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
SCHEMBL11689307 0.86 KDM4E (0.37) KDM4EPDE1APDE1BPDE1CMAPT
SCHEMBL11681765 0.85 CASR (0.49) KDM4EPDE1APDE1BPDE1CMAPT
SCHEMBL11687173 0.84 RET (0.44) KDM4EPDE1APDE1BPDE1CSRC
SCHEMBL11682150 0.81 KHK (0.44) KDM4EMAPTLMNAKMT2AGAA
SCHEMBL11681541 0.78 NR1H3 (0.47) KDM4EMAPTLMNAPIK3CDPRKDC
SCHEMBL11683155 0.77 PDE1A (0.45) KDM4EPDE1APDE1BPDE1CMAPT
SCHEMBL11682571 0.76 ESR1 (0.46) KDM4EMAPTLMNAKMT2AMEN1
SCHEMBL13324089 0.74 NPSR1 (0.59) MAPTLMNAKMT2AMEN1GAA
SCHEMBL11685049 0.72 PRKDC (0.43) KDM4EMAPTLMNAPIK3CDPIK3CA
SCHEMBL9923853 0.72 KMT2A (0.47) KDM4EPDE1APDE1BPDE1CSRC

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
US-4042704-A FERTILITY CONTROL AGENTS SANDOZ, INC. (US) 1977-08-16 — — US claimed
US-4042704-A FERTILITY CONTROL AGENTS SANDOZ, INC. (US) 1977-08-16 — — US disclosed
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