SCHEMBL19373208

SCHEMBL19373208

C=C(NCc1ccccc1)Nc1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ HTT P42858 1/20 0.56
▸ PTPN1 P18031 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAOB P27338 2/20 0.49
▸ MAOA P21397 1/20 0.49
▸ MAPT P10636 3/20 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
SCHEMBL13719809 0.93 NPC1 (0.67) ALDH1A1MEN1KMT2AGAAALOX12
SCHEMBL18737568 0.83 L3MBTL1 (0.51) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL5853157 0.80 NPC1 (0.88) ALDH1A1MEN1KMT2AGAAALOX12
SCHEMBL18737741 0.80 MEN1 (0.46) MEN1KMT2ARAB9ASMN1; SMN2PTPN1
SCHEMBL3343137 0.78 ALOX12 (0.67) ALDH1A1MEN1KMT2AGAAALOX12
SCHEMBL15832155 0.78 SMN1; SMN2 (0.57) ALDH1A1MEN1KMT2AGAAALOX12
SCHEMBL13764412 0.75 CA2 (0.51) ALDH1A1HPGDPTPN1MAOBMAOA
SCHEMBL22096632 0.74 ALOX12 (0.52) ALDH1A1MEN1KMT2AGAAALOX12
SCHEMBL23747455 0.74 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL13720058 0.73 NPC1 (1.00) ALDH1A1MEN1KMT2AGAANPC1

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
EP-2409704-B1 c-Met modulators and methods of use EXELIXIS INC (US) 2017-09-20 — — EP disclosed
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