SCHEMBL11834830

SCHEMBL11834830

CCN(CC)C(C)n1nc(-c2ccccc2)c2cc(C)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ POLB P06746 1/20 0.37

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
Hydrochloric Acid SCHEMBL11833164 0.99 KDM4E (0.47) KDM4EKMT2AMEN1TSHRMAPT
SCHEMBL11836348 0.86 KDM4E (0.65) KDM4EKMT2AMEN1TSHRMAPT
SCHEMBL11835514 0.86 KDM4E (0.50) KDM4EKMT2AMEN1TSHRMAPT
SCHEMBL11834520 0.86 KMT2A (0.46) KDM4EKMT2AMEN1TSHRMAPT
SCHEMBL11837486 0.85 KMT2A (0.58) KDM4EKMT2AMEN1TSHRMAPT
Hydrochloric Acid SCHEMBL11828807 0.85 KDM4E (0.64) KDM4EKMT2AMEN1TSHRMAPT
Hydrochloric Acid SCHEMBL11835491 0.85 KDM4E (0.49) KDM4EKMT2AMEN1TSHRMAPT
Hydrochloric Acid SCHEMBL11843962 0.85 KMT2A (0.45) KDM4EKMT2AMEN1TSHRMAPT
Hydrochloric Acid SCHEMBL11835272 0.84 KMT2A (0.57) KDM4EKMT2AMEN1TSHRMAPT
SCHEMBL11838053 0.80 KDM4E (0.51) KDM4EKMT2AMEN1TSHRMAPT

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
US-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US claimed
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