SCHEMBL7373331

SCHEMBL7373331

O=C(C=Cc1ccccc1)c1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
MAOB P27338 4/20 0.51
MAOA P21397 2/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50

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
SCHEMBL2779361 0.80 KMT2A (0.65) KMT2ARAB9AALDH1A1TDP1PDE4A
SCHEMBL7369698 0.78 MAPT (0.49) KMT2ANPC1MAPTRAB9AMAOB
SCHEMBL7367541 0.77 MAPT (0.58) KMT2ANPC1MAPTRAB9AMAOB
SCHEMBL7370306 0.77 KMT2A (0.58) KMT2ARAB9AALDH1A1TDP1PDE4A
SCHEMBL7370310 0.77 KMT2A (0.58) KMT2ARAB9AALDH1A1TDP1PDE4A
SCHEMBL29125555 0.76 KMT2A (0.60) KMT2ARAB9AALDH1A1TDP1PDE4A
SCHEMBL29719568 0.76 KMT2A (0.60) KMT2ARAB9AALDH1A1TDP1PDE4A
SCHEMBL7674701 0.76 KMT2A (0.64) KMT2ARAB9AALDH1A1TDP1PDE4A
SCHEMBL4165132 0.76 RAB9A (0.74) KMT2ARAB9AALDH1A1TDP1KDM4E
SCHEMBL7438315 0.75 ABCG2 (0.52) KMT2ANPC1MAPTRAB9AMAOB

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
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed