SCHEMBL11212933

SCHEMBL11212933

O=C(c1ccccc1)N1C=C(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.44
SIGMAR1 Q99720 2/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A7 Q99884 1/20 0.41
ACHE P22303 1/20 0.41
USP2 O75604 1/20 0.41
AVPR2 P30518 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11220650 0.80 ALDH1A1 (0.40) HPGDALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL31612296 0.73 GPR119 (0.45) MAPK1
SCHEMBL11210225 0.71 NPC1 (0.51) MAPK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5544959 0.70 SMN1; SMN2 (0.65) HPGDALDH1A1SIGMAR1ACHEUSP2
SCHEMBL9432868 0.70 HPGD (0.45) HPGDMAPK1ALDH1A1SIGMAR1ACHE
SCHEMBL6154396 0.69 HPGD (0.61) HPGDMAPK1ALDH1A1SIGMAR1POLB
SCHEMBL7129676 0.68 HPGD (0.79) HPGDMAPK1ALDH1A1SIGMAR1POLB
SCHEMBL252026 0.68 HPGD (0.79) HPGDMAPK1ALDH1A1SIGMAR1POLB
SCHEMBL28469739 0.67 HPGD (0.63) HPGDMAPK1ALDH1A1SIGMAR1POLB
SCHEMBL1525473 0.67 HPGD (0.53) HPGDMAPK1ALDH1A1SIGMAR1KMT2A

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
EP-0022087-B1 STABILIZERS FOR THERMOPLASTS THAT CONTAIN CHLORINE CIBA-GEIGY AG (CH) 1983-11-23 EP claimed
CN-120118001-A Aerobic nitriding method for olefin compounds 北京大学 2025-06-10 CN disclosed