SCHEMBL11835514

SCHEMBL11835514

CCC(N(CC)CC)n1nc(-c2ccccc2)c2cc(C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 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
Hydrochloric Acid SCHEMBL11835491 0.99 KDM4E (0.49) KDM4EKMT2AMEN1TSHRNLRP3
SCHEMBL11838053 0.89 KDM4E (0.51) KDM4EKMT2AMEN1TSHRNLRP3
SCHEMBL11834270 0.88 KDM4E (0.46) KDM4EKMT2AMEN1TSHRNLRP3
Hydrochloric Acid SCHEMBL11842003 0.87 KDM4E (0.45) KDM4EKMT2AMEN1TSHRNLRP3
SCHEMBL11834830 0.86 KDM4E (0.48) KDM4EKMT2AMEN1TSHRNLRP3
Hydrochloric Acid SCHEMBL11833164 0.85 KDM4E (0.47) KDM4EKMT2AMEN1TSHRNLRP3
Oxalic Acid SCHEMBL11843237 0.84 KDM4E (0.55) KDM4EKMT2AMEN1TSHRMAPT
SCHEMBL11845302 0.81 KDM4E (0.53) KDM4EKMT2AMEN1TSHRNLRP3
SCHEMBL11834520 0.77 KMT2A (0.46) KDM4EKMT2AMEN1TSHRNLRP3
SCHEMBL11835048 0.77 KDM4E (0.49) KDM4EKMT2AMEN1TSHRNLRP3

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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