SCHEMBL30050253

SCHEMBL30050253

O=C(NCc1cccc(Cl)c1)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
NPC1 O15118 5/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
MAPT P10636 2/20 0.66
MTOR P42345 1/20 0.66
LMNA P02545 2/20 0.64
HTT P42858 2/20 0.64
ALDH1A1 P00352 1/20 0.63
TP53 P04637 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
ROCK2 O75116 1/20 0.62
CNR1 P21554 1/20 0.62
KDM4E B2RXH2 1/20 0.61
F7 P08709 1/20 0.59
NAMPT P43490 1/20 0.59
POLB P06746 1/20 0.57
MAOB P27338 1/20 0.57

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
SCHEMBL28566662 1.00 RAB9A (0.66) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7423285 0.91 MTOR (0.79) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2704691 0.89 MAPT (0.66) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL14434215 0.84 ROCK2 (0.65) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2831462 0.84 NPC1 (0.77) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL14433810 0.83 RAB9A (0.78) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27953145 0.83 RAB9A (0.72) RAB9ANPC1MEN1KMT2AMTOR
SCHEMBL8177097 0.83 RAB9A (0.72) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5450570 0.82 MAOB (0.83) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL19577671 0.82 NPC1 (0.70) RAB9ANPC1MEN1KMT2AMAPT

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
CN-112574070-B Synthesis method of substituted urea compound 西华大学 2022-11-08 CN disclosed