SCHEMBL11169204

SCHEMBL11169204

Cc1cccc(C)c1NCC(C)Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP1A2 P05177 4/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ SCN4A P35499 4/20 0.33
▸ LMNA P02545 4/20 0.33
▸ SCN3A Q9NY46 3/20 0.33
▸ SCN1A P35498 3/20 0.33
▸ SCN5A Q14524 3/20 0.33
▸ SCN9A Q15858 3/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ SCN2A Q99250 2/20 0.33
▸ ALOX12 P18054 1/20 0.33

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
SCHEMBL27950619 0.83 MAPT (0.41) MAPTHTTCYP1A2CYP2C9MEN1
SCHEMBL10391083 0.81 ATM (0.38) MAPTHTTCYP1A2CYP2C9MEN1
SCHEMBL10391707 0.79 SCN4A (0.46) CYP1A2CYP2C9NFKB1SCN4ALMNA
SCHEMBL10392041 0.79 ALDH1A1 (0.39) MAPTCYP1A2CYP2C9MEN1KMT2A
SCHEMBL11171569 0.79 MAPT (0.46) MAPTHTTCYP1A2CYP2C9MEN1
SCHEMBL10391712 0.78 TAAR1 (0.39) MAPTHTTCYP1A2CYP2C9MEN1
SCHEMBL11176677 0.78 ALOX12 (0.36) MAPTHTTCYP1A2CYP2C9MEN1
Hydrochloric Acid SCHEMBL10392835 0.78 ALDH1A1 (0.39) MAPTCYP1A2CYP2C9MEN1KMT2A
SCHEMBL10391112 0.76 KAT2B (0.37) MAPTHTTCYP1A2CYP2C9MEN1
Hydrochloric Acid SCHEMBL11170663 0.76 ALOX12 (0.35) MAPTHTTCYP1A2CYP2C9MEN1

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-4369325-A ANTIPHLOGISTIC AND DIURETIC ACTIVITY EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-01-18 — — US disclosed
US-4284642-A DIURETICS, ANTIPHLOGISTICS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1981-08-18 — — US disclosed
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