SCHEMBL10742212

SCHEMBL10742212

NCCSCc1ccc(CNCCc2ccccc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ PRMT6 Q96LA8 1/20 0.47
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ HRH2 P25021 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAOA P21397 1/20 0.40

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
SCHEMBL10846891 0.87 PRMT6 (0.50) CYP1A2CYP2D6CYP2C19PRMT6HRH2
Hydrochloric Acid SCHEMBL11475500 0.86 PRMT6 (0.49) CYP1A2CYP2D6CYP2C19PRMT6MAPT
SCHEMBL11360362 0.80 PRMT6 (0.55) PRMT6HRH2BCHEACHE
SCHEMBL10857640 0.80 PRMT6 (0.51) PRMT6HRH2BCHEACHE
SCHEMBL11371642 0.77 PRMT6 (0.62) PRMT6HRH2BCHEACHE
SCHEMBL11368295 0.75 GAA (0.55) MAPTGAAALDH1A1MPOCA1
SCHEMBL10848949 0.75 PRMT6 (0.49) PRMT6MAPTGAAALDH1A1CA1
SCHEMBL11463439 0.73 PRMT6 (0.50) CYP1A2CYP2D6CYP2C19PRMT6HRH2
SCHEMBL11209167 0.73 PRMT6 (0.50) CYP1A2CYP2D6CYP2C19PRMT6HRH2
SCHEMBL10741444 0.73 PRMT6 (0.61) PRMT6HRH2BCHEACHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4649141-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-03-10 — — US disclosed
US-4539207-A Pyrimidine compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-09-03 — — US disclosed
EP-0003677-B1 PYRIMIDONES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-11 — — EP disclosed
US-4234588-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-11-18 — — US disclosed
EP-0003677-A2 Pyrimidones, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-08-22 — — EP disclosed
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