SCHEMBL8874767

SCHEMBL8874767

COc1ccc(-c2nc3ccccn3c2Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
NPC1 O15118 7/20 1.00
KDM4E B2RXH2 6/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 3/20 0.65
TUBB4A P04350 3/20 0.64
TUBB P07437 3/20 0.64
TUBA3C P0DPH7 3/20 0.64
TUBA1B P68363 3/20 0.64
TUBA4A P68366 3/20 0.64
TUBB4B P68371 3/20 0.64
TUBB3 Q13509 3/20 0.64
TUBB2A Q13885 3/20 0.64
TUBB8 Q3ZCM7 3/20 0.64
TUBA3E Q6PEY2 3/20 0.64
TUBA1A Q71U36 3/20 0.64
TUBA1C Q9BQE3 3/20 0.64
TUBB6 Q9BUF5 3/20 0.64
TUBB2B Q9BVA1 3/20 0.64
TUBB1 Q9H4B7 3/20 0.64

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
SCHEMBL22627444 0.84 RAB9A (0.72) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8874289 0.83 RAB9A (0.81) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL31122988 0.82 NPC1 (1.00) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8873145 0.82 RAB9A (0.70) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL22615062 0.82 RAB9A (0.70) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4726857 0.82 NPC1 (0.70) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL13325765 0.81 NPC1 (0.68) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8873776 0.80 RAB9A (0.76) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8874253 0.80 RAB9A (0.76) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL12848911 0.79 NPC1 (0.64) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658857-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 US claimed
EP-0683779-A1 IMIDAZOAZINES BAYER AG (DE) 1995-11-29 EP claimed
WO-1994018198-A1 IMIDAZOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1994-08-18 WO claimed
US-5658857-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed
EP-0683779-A1 IMIDAZOAZINES BAYER AG (DE) 1995-11-29 EP disclosed
WO-1994018198-A1 IMIDAZOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1994-08-18 WO disclosed