SCHEMBL10847822

SCHEMBL10847822

CC1CC(N)=NN1c1nc2ccccc2s1.NC1=NN(c2nc3ccccc3s2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.39
▸ NPC1 O15118 10/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36

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
SCHEMBL10849969 0.89 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL10849021 0.86 RAB9A (0.50) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL10849346 0.72 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2CYP1A2POLB
Hydrochloric Acid SCHEMBL11214622 0.72 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL10851145 0.71 GAA (0.45) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL10850376 0.70 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL10846141 0.69 NPC1 (0.45) RAB9ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL9033466 0.64 RAB9A (0.49) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL27645217 0.63 RAB9A (0.63) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL7721905 0.63 L3MBTL1 (0.40) SMN1; SMN2POLBALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4622401-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-11-11 — — US disclosed
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