SCHEMBL28228196

SCHEMBL28228196

COc1cccc(Nc2ccc(CN3CCNCC3)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ MLNR O43193 1/20 0.53
▸ SIGMAR1 Q99720 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CHRM3 P20309 1/20 0.50
▸ ACP1 P24666 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ MTNR1A P48039 2/20 0.47
▸ MTNR1B P49286 2/20 0.47
▸ MEN1 O00255 2/20 0.47

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
SCHEMBL3847058 0.81 SIGMAR1 (0.72) MLNRSIGMAR1CHRM3KDM4EALDH1A1
SCHEMBL29463795 0.81 SIGMAR1 (0.72) MLNRSIGMAR1CHRM3KDM4EALDH1A1
SCHEMBL27965095 0.81 SIGMAR1 (0.71) SYKSIGMAR1TP53NPC1RAB9A
SCHEMBL1382022 0.80 SIGMAR1 (0.70) MLNRSIGMAR1CHRM3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7422123 0.80 SIGMAR1 (0.70) MLNRSIGMAR1CHRM3KDM4EALDH1A1
SCHEMBL28228124 0.79 NPC1 (0.54) SIGMAR1TP53NPC1RAB9ACHRM3
SCHEMBL16349084 0.78 VCP (0.62) SYKMLNRLMNACHRM3
SCHEMBL592479 0.78 SIGMAR1 (0.67) SIGMAR1SMN1; SMN2ADRB1MEN1KMT2A
SCHEMBL2232773 0.78 MLNR (0.53) MLNRSIGMAR1SMN1; SMN2LMNACHRM3
SCHEMBL25549932 0.77 AXL (0.63) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108707151-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2022-06-03 — — CN claimed
CN-108707151-A Pyrimido-pyridazinone compound and application thereof 阿萨纳生物科技有限责任公司 2018-10-26 — — CN claimed
CN-108601785-A Purposes of the pyrimido pyridazinone in treating cancer 阿沙纳生物科学公司 2018-09-28 — — CN claimed
CN-103974955-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2018-06-19 — — CN claimed
CN-108707151-B Pyrimido-pyridazinone compounds and uses thereof 阿萨纳生物科技有限责任公司 2022-06-03 — — CN disclosed
CN-108707151-A Pyrimido-pyridazinone compound and application thereof 阿萨纳生物科技有限责任公司 2018-10-26 — — CN disclosed
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