SCHEMBL11318927

SCHEMBL11318927

CCNc1cc(Nc2ccccc2)nc(NCC)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.57
▸ LMNA P02545 5/20 0.57
▸ KDM4E B2RXH2 5/20 0.57
▸ HTT P42858 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ GPR55 Q9Y2T6 1/20 0.57
▸ KCNH2 Q12809 3/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.50
▸ USP2 O75604 1/20 0.50
▸ PLA2G1B P04054 1/20 0.48
▸ ATG4B Q9Y4P1 1/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KCNH3 Q9ULD8 2/20 0.46
▸ SLC2A1 P11166 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL28736407 0.85 CYP1A2 (0.64) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL11315532 0.81 MAPT (0.51) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL2409063 0.78 MAPT (0.62) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL16391929 0.76 ABCG2 (0.59) RAB9ANPC1MEN1KMT2AABCB1
SCHEMBL2176219 0.75 EGFR (0.67) LMNAUSP2RAB9ACYP1A2NPC1
SCHEMBL4037535 0.75 FLT3 (0.44) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL11317375 0.74 LMNA (0.54) MAPTLMNAKDM4EHTTSMN1; SMN2
SCHEMBL12421837 0.73 MEN1 (0.73) MAPTLMNARAB9AL3MBTL1CYP1A2
SCHEMBL14065506 0.73 KCNH3 (0.58) MAPTKDM4EHTTSMN1; SMN2RAB9A
SCHEMBL18670793 0.73 MAPT (0.50) MAPTLMNAKDM4EHTTSMN1; SMN2

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-4246410-A BENZINDOLE DYES OF YELLOW AND RED CIBA -GEIGY AKTIENGESELLSCHAFT (CH) 1981-01-20 — — US disclosed
US-4189427-A Azo dyestuffs from benzene diazo component fused to an aliphatic ring and containing two cyano substituents ortho to the azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 — — US disclosed
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