SCHEMBL31720966

SCHEMBL31720966

c1ccc(Cc2cc3ccccc3o2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.51
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ AGXT P21549 1/20 0.47
▸ CYP19A1 P11511 2/20 0.47
▸ MKNK1 Q9BUB5 2/20 0.42
▸ ADRA2A P08913 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ CCR2 P41597 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14075637 0.80 LOXL2 (0.69) LOXL2KDM4EHPGDHSD17B10AGXT
SCHEMBL13195275 0.78 LOXL2 (0.53) LOXL2NPC1RAB9AALDH1A1KDM4E
SCHEMBL340071 0.76 LOXL2 (0.47) LOXL2NPC1RAB9AAGXTCYP19A1
SCHEMBL16429505 0.75 CYP11B1 (0.63) LOXL2NPC1AGXTCYP19A1MKNK1
SCHEMBL6427450 0.73 TAAR1 (0.54) LOXL2AGXTCYP19A1ADRA2ASMN1; SMN2
SCHEMBL7806512 0.73 LOXL2 (0.60) LOXL2NPC1RAB9AMEN1KMT2A
SCHEMBL25059324 0.72 LOXL2 (0.46) LOXL2ALDH1A1AGXTCYP19A1ADRA2A
SCHEMBL29067195 0.71 RAB9A (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29830938 0.71 L3MBTL1 (0.59) ALDH1A1SMN1; SMN2L3MBTL1ASIC3LMNA
SCHEMBL41191 0.71 L3MBTL1 (0.59) ALDH1A1SMN1; SMN2L3MBTL1ASIC3LMNA

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-20250339520-A1 COMPOSITIONS AND METHODS FOR USE IN KRAS-TARGETED THERAPIES FOR THE TREATMENT OF CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-11-06 — — US claimed
US-20250339520-A1 COMPOSITIONS AND METHODS FOR USE IN KRAS-TARGETED THERAPIES FOR THE TREATMENT OF CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-11-06 — — US disclosed
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