SCHEMBL11246634

SCHEMBL11246634

CCCCOc1ccc(OCC(C)Nc2ncnc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ S1PR2 O95136 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ NR2F2 P24468 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ GALR3 O60755 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ GBA1 P04062 1/20 0.47
▸ EGFR P00533 3/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ CLK4 Q9HAZ1 2/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ ROS1 P08922 1/20 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
SCHEMBL11256846 0.89 NR2F2 (0.59) SMN1; SMN2LMNARAB9ANPC1NR2F2
SCHEMBL11250025 0.88 NPC1 (0.52) SMN1; SMN2RAB9ANPC1NR2F2KMT2A
SCHEMBL11248882 0.86 EGFR (0.52) SMN1; SMN2RAB9ANPC1NR2F2KMT2A
SCHEMBL11255628 0.86 GBA1 (0.56) SMN1; SMN2LMNARAB9ANPC1NR2F2
SCHEMBL11245261 0.84 SMN1; SMN2 (0.56) SMN1; SMN2S1PR2LMNANPSR1RAB9A
SCHEMBL11254153 0.83 LDHA (0.61) SMN1; SMN2S1PR2LMNANPSR1RAB9A
SCHEMBL11240075 0.80 EGFR (0.53) SMN1; SMN2LMNANPSR1RAB9ANPC1
SCHEMBL11261278 0.79 EGFR (0.52) SMN1; SMN2LMNARAB9ANPC1NR2F2
SCHEMBL4572178 0.79 GALR3 (0.63) SMN1; SMN2S1PR2LMNANPSR1RAB9A
SCHEMBL13283199 0.79 GALR3 (0.63) SMN1; SMN2S1PR2LMNANPSR1RAB9A

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
US-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 — — US disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 — — US disclosed
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