SCHEMBL30108087

SCHEMBL30108087

Nc1ccc(-c2ccc(N)cc2-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 3/20 0.56
PTPRC P08575 2/20 0.56
NCOA1 Q15788 2/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.56
APAF1 O14727 1/20 0.56
TDP2 O95551 1/20 0.56
NSD2 O96028 1/20 0.56
PLA2G1B P04054 1/20 0.56
POLB P06746 1/20 0.56
CTSL P07711 1/20 0.56
ALOX12 P18054 1/20 0.56
PLCG1 P19174 1/20 0.56
CTSS P25774 1/20 0.56
NPY1R P25929 1/20 0.56

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
SCHEMBL38924 1.00 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL29637424 0.95 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL30545213 0.95 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4395100 0.95 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5852606 0.95 HSD17B10 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4454543 0.95 CYP3A4 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12478792 0.91 CYP3A4 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL25301803 0.91 HSD17B10 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL650894 0.91 CYP3A4 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL116465 0.91 CYP3A4 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A

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
CN-113308068-B High-temperature-resistant PVC foam and preparation method thereof 东营瑞致新材料有限公司 2022-12-02 CN claimed
CN-113308068-B High-temperature-resistant PVC foam and preparation method thereof 东营瑞致新材料有限公司 2022-12-02 CN disclosed