SCHEMBL21548856

SCHEMBL21548856

CCOc1nc(C)nc(CC)c1Cc1ccc(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ P2RX7 Q99572 7/20 0.37
▸ HTR2C P28335 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL21548879 0.88 HTT (0.45) HTTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL20356656 0.83 P2RX7 (0.40) HTTLMNAALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL21526059 0.82 P2RX7 (0.40) HTTLMNAALDH1A1HPGDHSD17B10
SCHEMBL21548886 0.81 GRM4 (0.35) SMN1; SMN2ALDH1A1P2RX7MEN1KMT2A
SCHEMBL21548857 0.79 KMT2A (0.34) LMNAALDH1A1MEN1KMT2A
SCHEMBL21548814 0.78 LMNA (0.39) HTTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL20356511 0.75 ALDH1A1 (0.46) HTTLMNAALDH1A1HPGDHSD17B10
SCHEMBL20356758 0.73 ALDH1A1 (0.41) HTTLMNAALDH1A1HPGDHSD17B10
SCHEMBL21548877 0.72 ALDH1A1 (0.43) HTTSMN1; SMN2ALDH1A1SLC6A4PKM
SCHEMBL20356509 0.68 PTGER1 (0.39) ALDH1A1CYP1A2CYP2C19KMT2A

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
EP-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 — — EP disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — EP disclosed
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