SCHEMBL9344173

SCHEMBL9344173

CCCCOCc1ccc(OCCCC)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 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
SCHEMBL9360618 0.88 ACACB (0.40) MAPTCYP3A4CYP2D6HRH3GABRP
SCHEMBL10433961 0.82 MAPT (0.39) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL1843048 0.81 MEN1 (0.47) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL21391268 0.81 NPC1 (0.45) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL16889139 0.81 RAB9A (0.42) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL647523 0.79 L3MBTL1 (0.49) MAPK1CYP3A4L3MBTL1LTA4HNR5A1
SCHEMBL9345370 0.78 MAPT (0.49) MAPTRAB9AGABRPGABRDGABRA1
SCHEMBL9388103 0.78 MAPT (0.44) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL25592544 0.77 LTA4H (0.52) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL5530443 0.75 RAB9A (0.53) MAPTMEN1RAB9AKMT2ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393453-B1 Process for the preparation of 2-chloro-5-chloromethyl-pyridine and new intermediates BAYER AG (DE) 1994-11-30 EP disclosed
US-5329011-A Process for the preparation of 2-chloro-5-chloromethyl-pyridine, and new intermediates BAYER AKTIENGESELLSCHAFT (DE) 1994-07-12 US disclosed
EP-0393453-A2 Process for the preparation of 2-chloro-5-chloromethyl-pyridine and new intermediates BAYER AG (DE) 1990-10-24 EP disclosed